4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite

C127H154BClN28O14S — CID 158814078

IUPAC4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite
SMILESC.CC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)c3ncn(C(C)C)c3n2)CC1.CC(C)n1cnc2c(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)nc(NC3CCC(N)CC3)nc21.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(N)CC4)nc4c3ncn4C(C)C)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(NC(C)=O)CC4)nc4c3ncn4C(C)C)cc2)cc1.O=C(O)c1ccc(B(O)O)cc1.[3H]CSCl
InChIInChI=1S/C31H37N7O3.C30H35N7O3.C29H35N7O2.C28H33N7O2.C7H7BO4.CH3ClS.CH4/c1-19(2)38-18-33-27-28(36-31(37-29(27)38)35-26-15-13-25(14-16-26)34-20(3)39)32-17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)30(40)41-4;1-18(2)37-17-32-26-27(35-30(36-28(26)37)34-25-14-12-24(13-15-25)33-19(3)38)31-16-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(39)40;1-18(2)36-17-32-25-26(34-29(35-27(25)36)33-24-14-12-23(30)13-15-24)31-16-19-4-6-20(7-5-19)21-8-10-22(11-9-21)28(37)38-3;1-17(2)35-16-31-24-25(33-28(34-26(24)35)32-23-13-11-22(29)12-14-23)30-15-18-3-5-19(6-4-18)20-7-9-21(10-8-20)27(36)37;9-7(10)5-1-3-6(4-2-5)8(11)12;1-3-2;/h5-12,18-19,25-26H,13-17H2,1-4H3,(H,34,39)(H2,32,35,36,37);4-11,17-18,24-25H,12-16H2,1-3H3,(H,33,38)(H,39,40)(H2,31,34,35,36);4-11,17-18,23-24H,12-16,30H2,1-3H3,(H2,31,33,34,35);3-10,16-17,22-23H,11-15,29H2,1-2H3,(H,36,37)(H2,30,32,33,34);1-4,11-12H,(H,9,10);1H3;1H4/i;;;;;1T;
InChIKeyIVAXDZODKGZIQF-NNUXTHJMSA-N
MW2377.15 g/mol
LogP22.00
Rot. Bonds37

About 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite

4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite (PubChem CID 158814078) has the molecular formula C127H154BClN28O14S and a molecular weight of 2377.15 g/mol. Its IUPAC name is 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite.

Molecular Properties

Compound Name4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite
PubChem CID158814078
Molecular FormulaC127H154BClN28O14S
Molecular Weight2377.15 g/mol
Exact Mass2375.18
IUPAC Name4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite
SMILESC.CC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)c3ncn(C(C)C)c3n2)CC1.CC(C)n1cnc2c(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)nc(NC3CCC(N)CC3)nc21.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(N)CC4)nc4c3ncn4C(C)C)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(NC(C)=O)CC4)nc4c3ncn4C(C)C)cc2)cc1.O=C(O)c1ccc(B(O)O)cc1.[3H]CSCl
InChIInChI=1S/C31H37N7O3.C30H35N7O3.C29H35N7O2.C28H33N7O2.C7H7BO4.CH3ClS.CH4/c1-19(2)38-18-33-27-28(36-31(37-29(27)38)35-26-15-13-25(14-16-26)34-20(3)39)32-17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)30(40)41-4;1-18(2)37-17-32-26-27(35-30(36-28(26)37)34-25-14-12-24(13-15-25)33-19(3)38)31-16-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(39)40;1-18(2)36-17-32-25-26(34-29(35-27(25)36)33-24-14-12-23(30)13-15-24)31-16-19-4-6-20(7-5-19)21-8-10-22(11-9-21)28(37)38-3;1-17(2)35-16-31-24-25(33-28(34-26(24)35)32-23-13-11-22(29)12-14-23)30-15-18-3-5-19(6-4-18)20-7-9-21(10-8-20)27(36)37;9-7(10)5-1-3-6(4-2-5)8(11)12;1-3-2;/h5-12,18-19,25-26H,13-17H2,1-4H3,(H,34,39)(H2,32,35,36,37);4-11,17-18,24-25H,12-16H2,1-3H3,(H,33,38)(H,39,40)(H2,31,34,35,36);4-11,17-18,23-24H,12-16,30H2,1-3H3,(H2,31,33,34,35);3-10,16-17,22-23H,11-15,29H2,1-2H3,(H,36,37)(H2,30,32,33,34);1-4,11-12H,(H,9,10);1H3;1H4/i;;;;;1T;
InChIKeyIVAXDZODKGZIQF-NNUXTHJMSA-N
XLogP22.00
TPSA585.84 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002377.15
LogP ≤ 522.00
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite with MolForge

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Related Compounds

Methyl 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carbonyl]benzoate
CID 10167531
Methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate
CID 10209617
4-[4-[[[2-[(4-Acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid
CID 21362587
Methyl 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carbonyl]benzoate;dihydrochloride
CID 69021434
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-N-[(4-fluorophenyl)methyl]purin-2-amine;6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-N-[(4-methylphenyl)methyl]purin-2-amine;4-[(dimethylamino)methyl]benzoic acid;4-methylbenzaldehyde
CID 157863171
2-benzyl-3-(2-methylpropoxycarbonylamino)propanoic acid;4-[(dimethylamino)methyl]benzoic acid;4-[(dimethylamino)methyl]-N-[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]benzamide;2-methylpropyl N-[2-benzyl-3-[[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]amino]-3-oxopropyl]carbamate
CID 157932861
4-[4-[[[2-[(4-Acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite
CID 157940364
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;[4-[[9-[(2R,5S)-5-[[deuterio(tritio)boranyl]methylsulfanyloxymethyl]oxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methyl 4-(methylamino)-4-oxobutanoate;N-[9-[(2R,5S)-5-[[deuterio(tritio)boranyl]methylsulfanyloxymethyl]oxolan-2-yl]purin-6-yl]-4-(hydroxymethyl)benzamide;[4-[[9-[(2R,5S)-5-[[deuterio(tritio)methoxy]methyl]oxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methyl 4-(methylamino)-4-oxobutanoate;4-(hydroxymethyl)benzoyl chloride
CID 158149578
3-[4-[[[2-[(4-Aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;3-boronobenzoic acid;methane
CID 158384310
4-[(dimethylamino)methyl]benzoic acid;4-[(dimethylamino)methyl]-N-[6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-yl]benzamide;6-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine;6-(4-ethylpiperazin-1-yl)-9-(3-pyrrolidin-1-ylpropyl)purin-2-amine;4-methylbenzaldehyde;pyrrolidine
CID 158510590
2-N-(4-aminocyclohexyl)-6-N-[[4-(furan-3-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine;2-N-[4-(dipropylamino)cyclohexyl]-6-N-[[4-(furan-3-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine;furan-3-ylboronic acid;N-[4-[[6-[[4-(furan-3-yl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
CID 158545304
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;[4-[[9-[(2R,5S)-5-[[deuterio(tritio)boranyl]methylsulfanyloxymethyl]oxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methyl 4-(methylamino)-4-oxobutanoate;N-[9-[(2R,5S)-5-[[deuterio(tritio)boranyl]methylsulfanyloxymethyl]oxolan-2-yl]purin-6-yl]-4-(hydroxymethyl)benzamide;[4-[[9-[(2R,5S)-5-[[deuterio(tritio)methoxy]methyl]oxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methyl 4-(methylamino)-4-oxobutanoate;4-(hydroxymethyl)benzoyl chloride;methane
CID 158746150

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite?
The IUPAC name of 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite (CID 158814078) is 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite.
What is the SMILES notation for 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite?
The canonical SMILES for 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite is C.CC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)c3ncn(C(C)C)c3n2)CC1.CC(C)n1cnc2c(NCc3ccc(-c4ccc(C(=O)O)cc4)cc3)nc(NC3CCC(N)CC3)nc21.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(N)CC4)nc4c3ncn4C(C)C)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNc3nc(NC4CCC(NC(C)=O)CC4)nc4c3ncn4C(C)C)cc2)cc1.O=C(O)c1ccc(B(O)O)cc1.[3H]CSCl.
What is the InChIKey of 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite?
The InChIKey is IVAXDZODKGZIQF-NNUXTHJMSA-N. The full InChI is InChI=1S/C31H37N7O3.C30H35N7O3.C29H35N7O2.C28H33N7O2.C7H7BO4.CH3ClS.CH4/c1-19(2)38-18-33-27-28(36-31(37-29(27)38)35-26-15-13-25(14-16-26)34-20(3)39)32-17-21-5-7-22(8-6-21)23-9-11-24(12-10-23)30(40)41-4;1-18(2)37-17-32-26-27(35-30(36-28(26)37)34-25-14-12-24(13-15-25)33-19(3)38)31-16-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(39)40;1-18(2)36-17-32-25-26(34-29(35-27(25)36)33-24-14-12-23(30)13-15-24)31-16-19-4-6-20(7-5-19)21-8-10-22(11-9-21)28(37)38-3;1-17(2)35-16-31-24-25(33-28(34-26(24)35)32-23-13-11-22(29)12-14-23)30-15-18-3-5-19(6-4-18)20-7-9-21(10-8-20)27(36)37;9-7(10)5-1-3-6(4-2-5)8(11)12;1-3-2;/h5-12,18-19,25-26H,13-17H2,1-4H3,(H,34,39)(H2,32,35,36,37);4-11,17-18,24-25H,12-16H2,1-3H3,(H,33,38)(H,39,40)(H2,31,34,35,36);4-11,17-18,23-24H,12-16,30H2,1-3H3,(H2,31,33,34,35);3-10,16-17,22-23H,11-15,29H2,1-2H3,(H,36,37)(H2,30,32,33,34);1-4,11-12H,(H,9,10);1H3;1H4/i;;;;;1T;.
What are the key properties of 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite?
4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite has a molecular weight of 2377.15 g/mol, XLogP of 22.00, 37 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoic acid;4-boronobenzoic acid;methane;methyl 4-[4-[[[2-[(4-acetamidocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;methyl 4-[4-[[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenyl]benzoate;tritiomethyl thiohypochlorite is sourced from PubChem (CID 158814078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).