1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one

C192H264N48O30 — CID 162280276

IUPAC1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one
SMILESCC(C)(C)c1ccc(NC(=O)NCCCN(CC2CC2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.CC[C@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.C[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCc2cc3cc(C(C)(C)C)ccc3[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H35N5O5.C28H40N8O4.C28H42N8O4.C28H38N6O3.C27H40N8O4.C26H38N8O4.C25H31N5O6/c1-20-26-29(32-18-31-20)35(19-33-26)30-28(38)27(37)25(40-30)17-34(2)15-7-6-8-22(36)16-21-11-13-24(14-12-21)39-23-9-4-3-5-10-23;1-28(2,3)18-7-9-19(10-8-18)34-27(39)30-11-4-12-35(13-17-5-6-17)14-20-22(37)23(38)26(40-20)36-16-33-21-24(29)31-15-32-25(21)36;1-16(2)19(34-27(39)33-18-9-7-17(8-10-18)28(3,4)5)11-12-35(6)13-20-22(37)23(38)26(40-20)36-15-32-21-24(29)30-14-31-25(21)36;1-17-23-26(30-15-29-17)34(16-31-23)27-25(36)24(35)22(37-27)14-33(5)11-7-6-8-20-13-18-12-19(28(2,3)4)9-10-21(18)32-20;1-6-17(32-26(38)33-18-9-7-16(8-10-18)27(2,3)4)11-12-34(5)13-19-21(36)22(37)25(39-19)35-15-31-20-23(28)29-14-30-24(20)35;1-15(31-25(37)32-17-8-6-16(7-9-17)26(2,3)4)10-11-33(5)12-18-20(35)21(36)24(38-18)34-14-30-19-22(27)28-13-29-23(19)34;1-15-21-24(27-12-26-15)30(13-28-21)25-23(33)22(32)20(36-25)11-29(2)8-4-3-5-17(31)9-16-6-7-18-19(10-16)35-14-34-18/h3-5,9-14,18-19,25,27-28,30,37-38H,6-8,15-17H2,1-2H3;7-10,15-17,20,22-23,26,37-38H,4-6,11-14H2,1-3H3,(H2,29,31,32)(H2,30,34,39);7-10,14-16,19-20,22-23,26,37-38H,11-13H2,1-6H3,(H2,29,30,31)(H2,33,34,39);9-10,12-13,15-16,22,24-25,27,32,35-36H,6-8,11,14H2,1-5H3;7-10,14-15,17,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,29,30)(H2,32,33,38);6-9,13-15,18,20-21,24,35-36H,10-12H2,1-5H3,(H2,27,28,29)(H2,31,32,37);6-7,10,12-13,20,22-23,25,32-33H,3-5,8-9,11,14H2,1-2H3/t25-,27-,28-,30-;20-,22-,23-,26-;19-,20-,22-,23-,26-;22-,24-,25-,27-;17-,19-,21-,22-,25-;15-,18+,20+,21+,24+;20-,22-,23-,25-/m1111101/s1
InChIKeyCQUVGCXULVTUOZ-CUPMOSIESA-N
MW3724.53 g/mol
LogP17.19
Rot. Bonds66

About 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one

1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one (PubChem CID 162280276) has the molecular formula C192H264N48O30 and a molecular weight of 3724.53 g/mol. Its IUPAC name is 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one.

Molecular Properties

Compound Name1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one
PubChem CID162280276
Molecular FormulaC192H264N48O30
Molecular Weight3724.53 g/mol
Exact Mass3722.06
IUPAC Name1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one
SMILESCC(C)(C)c1ccc(NC(=O)NCCCN(CC2CC2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.CC[C@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.C[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCc2cc3cc(C(C)(C)C)ccc3[nH]2)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H35N5O5.C28H40N8O4.C28H42N8O4.C28H38N6O3.C27H40N8O4.C26H38N8O4.C25H31N5O6/c1-20-26-29(32-18-31-20)35(19-33-26)30-28(38)27(37)25(40-30)17-34(2)15-7-6-8-22(36)16-21-11-13-24(14-12-21)39-23-9-4-3-5-10-23;1-28(2,3)18-7-9-19(10-8-18)34-27(39)30-11-4-12-35(13-17-5-6-17)14-20-22(37)23(38)26(40-20)36-16-33-21-24(29)31-15-32-25(21)36;1-16(2)19(34-27(39)33-18-9-7-17(8-10-18)28(3,4)5)11-12-35(6)13-20-22(37)23(38)26(40-20)36-15-32-21-24(29)30-14-31-25(21)36;1-17-23-26(30-15-29-17)34(16-31-23)27-25(36)24(35)22(37-27)14-33(5)11-7-6-8-20-13-18-12-19(28(2,3)4)9-10-21(18)32-20;1-6-17(32-26(38)33-18-9-7-16(8-10-18)27(2,3)4)11-12-34(5)13-19-21(36)22(37)25(39-19)35-15-31-20-23(28)29-14-30-24(20)35;1-15(31-25(37)32-17-8-6-16(7-9-17)26(2,3)4)10-11-33(5)12-18-20(35)21(36)24(38-18)34-14-30-19-22(27)28-13-29-23(19)34;1-15-21-24(27-12-26-15)30(13-28-21)25-23(33)22(32)20(36-25)11-29(2)8-4-3-5-17(31)9-16-6-7-18-19(10-16)35-14-34-18/h3-5,9-14,18-19,25,27-28,30,37-38H,6-8,15-17H2,1-2H3;7-10,15-17,20,22-23,26,37-38H,4-6,11-14H2,1-3H3,(H2,29,31,32)(H2,30,34,39);7-10,14-16,19-20,22-23,26,37-38H,11-13H2,1-6H3,(H2,29,30,31)(H2,33,34,39);9-10,12-13,15-16,22,24-25,27,32,35-36H,6-8,11,14H2,1-5H3;7-10,14-15,17,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,29,30)(H2,32,33,38);6-9,13-15,18,20-21,24,35-36H,10-12H2,1-5H3,(H2,27,28,29)(H2,31,32,37);6-7,10,12-13,20,22-23,25,32-33H,3-5,8-9,11,14H2,1-2H3/t25-,27-,28-,30-;20-,22-,23-,26-;19-,20-,22-,23-,26-;22-,24-,25-,27-;17-,19-,21-,22-,25-;15-,18+,20+,21+,24+;20-,22-,23-,25-/m1111101/s1
InChIKeyCQUVGCXULVTUOZ-CUPMOSIESA-N
XLogP17.19
TPSA1021.93 Ų
H-Bond Donors27
H-Bond Acceptors69
Rotatable Bonds66
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003724.53
LogP ≤ 517.19
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1069

Analyze 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157165151
CID 157165151
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethanone;molecular hydrogen
CID 157825833
N-[2-tert-butyl-1-(2-hydroxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclobutyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157973001
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-N-(4-tert-butylphenyl)pentanamide;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-(2-aminophenoxy)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)-1-methylurea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-cyclohexylphenyl)urea
CID 157053713
CID 157479589
CID 157479589
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-methylpropyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]propyl]-3-(4-tert-butylphenyl)urea;N-[[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]acetamide;1-[5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(2-phenoxyphenyl)urea;methyl 3-[6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxohexyl]benzoate
CID 158092066
N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-(3-hydroxy-2-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;6-[(2R)-2-[[4-[[(2R)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine;6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one
CID 158423733
N-(2-hydroxy-3-propan-2-yloxypropyl)-N-[[4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-1-yl]methyl]acetamide;6-[(2R,4R)-2-(naphthalen-1-yloxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]-7H-purine;N-[(3-propan-2-yloxycyclobutyl)methyl]-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(2-propan-2-yloxyethyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;2-(propan-2-yloxymethylidene)-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]-3,4-dihydronaphthalen-1-one;N-(2-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;N-(3-propan-2-yloxypropyl)-4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide;(E)-7-propan-2-yloxy-1-[2-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]phenyl]hept-1-en-3-one
CID 158630343
1-[(2R)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;6-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one
CID 158630603
CID 158670326
CID 158670326
CID 158797670
CID 158797670
1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one
CID 158834085

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The IUPAC name of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one (CID 162280276) is 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one.
What is the SMILES notation for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The canonical SMILES for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one is CC(C)(C)c1ccc(NC(=O)NCCCN(CC2CC2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1.CC(C)[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.CC[C@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.C[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc(Oc3ccccc3)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2ccc3c(c2)OCO3)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCc2cc3cc(C(C)(C)C)ccc3[nH]2)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
The InChIKey is CQUVGCXULVTUOZ-CUPMOSIESA-N. The full InChI is InChI=1S/C30H35N5O5.C28H40N8O4.C28H42N8O4.C28H38N6O3.C27H40N8O4.C26H38N8O4.C25H31N5O6/c1-20-26-29(32-18-31-20)35(19-33-26)30-28(38)27(37)25(40-30)17-34(2)15-7-6-8-22(36)16-21-11-13-24(14-12-21)39-23-9-4-3-5-10-23;1-28(2,3)18-7-9-19(10-8-18)34-27(39)30-11-4-12-35(13-17-5-6-17)14-20-22(37)23(38)26(40-20)36-16-33-21-24(29)31-15-32-25(21)36;1-16(2)19(34-27(39)33-18-9-7-17(8-10-18)28(3,4)5)11-12-35(6)13-20-22(37)23(38)26(40-20)36-15-32-21-24(29)30-14-31-25(21)36;1-17-23-26(30-15-29-17)34(16-31-23)27-25(36)24(35)22(37-27)14-33(5)11-7-6-8-20-13-18-12-19(28(2,3)4)9-10-21(18)32-20;1-6-17(32-26(38)33-18-9-7-16(8-10-18)27(2,3)4)11-12-34(5)13-19-21(36)22(37)25(39-19)35-15-31-20-23(28)29-14-30-24(20)35;1-15(31-25(37)32-17-8-6-16(7-9-17)26(2,3)4)10-11-33(5)12-18-20(35)21(36)24(38-18)34-14-30-19-22(27)28-13-29-23(19)34;1-15-21-24(27-12-26-15)30(13-28-21)25-23(33)22(32)20(36-25)11-29(2)8-4-3-5-17(31)9-16-6-7-18-19(10-16)35-14-34-18/h3-5,9-14,18-19,25,27-28,30,37-38H,6-8,15-17H2,1-2H3;7-10,15-17,20,22-23,26,37-38H,4-6,11-14H2,1-3H3,(H2,29,31,32)(H2,30,34,39);7-10,14-16,19-20,22-23,26,37-38H,11-13H2,1-6H3,(H2,29,30,31)(H2,33,34,39);9-10,12-13,15-16,22,24-25,27,32,35-36H,6-8,11,14H2,1-5H3;7-10,14-15,17,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,29,30)(H2,32,33,38);6-9,13-15,18,20-21,24,35-36H,10-12H2,1-5H3,(H2,27,28,29)(H2,31,32,37);6-7,10,12-13,20,22-23,25,32-33H,3-5,8-9,11,14H2,1-2H3/t25-,27-,28-,30-;20-,22-,23-,26-;19-,20-,22-,23-,26-;22-,24-,25-,27-;17-,19-,21-,22-,25-;15-,18+,20+,21+,24+;20-,22-,23-,25-/m1111101/s1.
What are the key properties of 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one?
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one has a molecular weight of 3724.53 g/mol, XLogP of 17.19, 66 rotatable bonds, 27 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(cyclopropylmethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]pentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;(2R,3S,4R,5R)-2-[[4-(5-tert-butyl-1H-indol-2-yl)butyl-methylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(4-phenoxyphenyl)hexan-2-one is sourced from PubChem (CID 162280276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).