(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one

C232H403N23O54S — CID 159263450

IUPAC(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one
SMILESCC(=O)CCCCCn1cc(COC[C@@H]2C[C@H](OC(C)C)CCO2)nn1.CC(C)CCOCCOCCOCCOC(C)C.CC(C)OCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCC(=O)CCCCCCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCc1cn(CCCCCC(=O)C(C)C)nn1.CC(C)O[C@@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.Cc1cccc(C(=O)Nc2cnc(C)c(-c3cnc(N[C@H](C(=O)N4C[C@H](O)CC4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)c(N4CCOCC4)c3)c2)c1
InChIInChI=1S/C46H54N8O5S.C21H39N3O5.3C21H37N3O4.C21H40O6.C19H33N3O4.C18H36O7.C16H32O6.C14H28O5.C14H30O4/c1-27-9-8-10-33(19-27)43(56)51-35-21-37(29(3)47-24-35)34-20-38(53-15-17-59-18-16-53)42(48-23-34)52-41(46(5,6)7)45(58)54-25-36(55)22-39(54)44(57)50-28(2)31-11-13-32(14-12-31)40-30(4)49-26-60-40;1-18(2)21(25)8-6-5-7-9-24-16-20(22-23-24)17-28-13-12-26-10-11-27-14-15-29-19(3)4;3*1-16(2)21(25)8-6-5-7-10-24-13-18(22-23-24)14-26-15-20-12-19(9-11-27-20)28-17(3)4;1-18(2)21(23)10-8-6-5-7-9-20(22)17-26-14-13-24-11-12-25-15-16-27-19(3)4;1-15(2)26-18-8-10-25-19(11-18)14-24-13-17-12-22(21-20-17)9-6-4-5-7-16(3)23;1-16(2)18(19)15-24-12-11-22-8-7-20-5-6-21-9-10-23-13-14-25-17(3)4;1-14(2)16(17)13-21-10-9-19-6-5-18-7-8-20-11-12-22-15(3)4;1-12(2)14(15)11-18-8-7-16-5-6-17-9-10-19-13(3)4;1-13(2)5-6-15-7-8-16-9-10-17-11-12-18-14(3)4/h8-14,19-21,23-24,26,28,36,39,41,55H,15-18,22,25H2,1-7H3,(H,48,52)(H,50,57)(H,51,56);16,18-19H,5-15,17H2,1-4H3;3*13,16-17,19-20H,5-12,14-15H2,1-4H3;18-19H,5-17H2,1-4H3;12,15,18-19H,4-11,13-14H2,1-3H3;16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3;13-14H,5-12H2,1-4H3/t28-,36+,39?,41+;;19-,20+;2*19-,20-;;18-,19+;;;;/m0.010.1..../s1
InChIKeyKWULAPCEIDDDNU-OWMAIXDUSA-N
MW4410.95 g/mol
LogP34.77
Rot. Bonds162

About (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one

(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one (PubChem CID 159263450) has the molecular formula C232H403N23O54S and a molecular weight of 4410.95 g/mol. Its IUPAC name is (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one.

Molecular Properties

Compound Name(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one
PubChem CID159263450
Molecular FormulaC232H403N23O54S
Molecular Weight4410.95 g/mol
Exact Mass4407.92
IUPAC Name(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one
SMILESCC(=O)CCCCCn1cc(COC[C@@H]2C[C@H](OC(C)C)CCO2)nn1.CC(C)CCOCCOCCOCCOC(C)C.CC(C)OCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCC(=O)CCCCCCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCc1cn(CCCCCC(=O)C(C)C)nn1.CC(C)O[C@@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.Cc1cccc(C(=O)Nc2cnc(C)c(-c3cnc(N[C@H](C(=O)N4C[C@H](O)CC4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)c(N4CCOCC4)c3)c2)c1
InChIInChI=1S/C46H54N8O5S.C21H39N3O5.3C21H37N3O4.C21H40O6.C19H33N3O4.C18H36O7.C16H32O6.C14H28O5.C14H30O4/c1-27-9-8-10-33(19-27)43(56)51-35-21-37(29(3)47-24-35)34-20-38(53-15-17-59-18-16-53)42(48-23-34)52-41(46(5,6)7)45(58)54-25-36(55)22-39(54)44(57)50-28(2)31-11-13-32(14-12-31)40-30(4)49-26-60-40;1-18(2)21(25)8-6-5-7-9-24-16-20(22-23-24)17-28-13-12-26-10-11-27-14-15-29-19(3)4;3*1-16(2)21(25)8-6-5-7-10-24-13-18(22-23-24)14-26-15-20-12-19(9-11-27-20)28-17(3)4;1-18(2)21(23)10-8-6-5-7-9-20(22)17-26-14-13-24-11-12-25-15-16-27-19(3)4;1-15(2)26-18-8-10-25-19(11-18)14-24-13-17-12-22(21-20-17)9-6-4-5-7-16(3)23;1-16(2)18(19)15-24-12-11-22-8-7-20-5-6-21-9-10-23-13-14-25-17(3)4;1-14(2)16(17)13-21-10-9-19-6-5-18-7-8-20-11-12-22-15(3)4;1-12(2)14(15)11-18-8-7-16-5-6-17-9-10-19-13(3)4;1-13(2)5-6-15-7-8-16-9-10-17-11-12-18-14(3)4/h8-14,19-21,23-24,26,28,36,39,41,55H,15-18,22,25H2,1-7H3,(H,48,52)(H,50,57)(H,51,56);16,18-19H,5-15,17H2,1-4H3;3*13,16-17,19-20H,5-12,14-15H2,1-4H3;18-19H,5-17H2,1-4H3;12,15,18-19H,4-11,13-14H2,1-3H3;16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3;13-14H,5-12H2,1-4H3/t28-,36+,39?,41+;;19-,20+;2*19-,20-;;18-,19+;;;;/m0.010.1..../s1
InChIKeyKWULAPCEIDDDNU-OWMAIXDUSA-N
XLogP34.77
TPSA846.13 Ų
H-Bond Donors4
H-Bond Acceptors75
Rotatable Bonds162
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004410.95
LogP ≤ 534.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1075

Analyze (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-tert-butyl-6-[2-[4-[4-[4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]-1-[(2R,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2R)-2-tert-butyl-6-[2-[2-[2-[4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethoxy]ethoxy]-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]hexane-1,4-dione;(2S,4R)-1-[(2R)-3,3-dimethyl-2-[6-[4-[2-[2-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 160846504
(2S,4R)-1-[(2R)-3,3-dimethyl-2-[[2-[4-[2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-oxopropyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 162617575
N-[5-[6-[2-[2-[2-[2-[2-[[(2R)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135389879
methyl 5-[2-[[1-[(2S,4R)-4-hydroxy-2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentanoate
CID 139578723
(2S,4R)-1-[(2S)-2-[8-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166746984
(2S,4R)-4-hydroxy-1-[(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164812187
(2S,4R)-1-[2-[6-[4-[2-[2-[[6-[4-fluoro-5-(hexylcarbamoylamino)-2-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-2-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 135390065
3-[2-[[1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propyl carbamate
CID 175189055
(2S,4R)-4-hydroxy-1-[2-(6-hydroxyhexanoylamino)-3,3-dimethylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170330058
[11-[[1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl] carbamate
CID 175609080
methyl 4-[6-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]hexyl]benzoate
CID 158086205
tert-butyl 3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropanoate
CID 171820675

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one?
The IUPAC name of (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one (CID 159263450) is (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one.
What is the SMILES notation for (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one?
The canonical SMILES for (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one is CC(=O)CCCCCn1cc(COC[C@@H]2C[C@H](OC(C)C)CCO2)nn1.CC(C)CCOCCOCCOCCOC(C)C.CC(C)OCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCC(=O)CCCCCCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCCOCCOCCOCc1cn(CCCCCC(=O)C(C)C)nn1.CC(C)O[C@@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.CC(C)O[C@H]1CCO[C@H](COCc2cn(CCCCCC(=O)C(C)C)nn2)C1.Cc1cccc(C(=O)Nc2cnc(C)c(-c3cnc(N[C@H](C(=O)N4C[C@H](O)CC4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)c(N4CCOCC4)c3)c2)c1.
What is the InChIKey of (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one?
The InChIKey is KWULAPCEIDDDNU-OWMAIXDUSA-N. The full InChI is InChI=1S/C46H54N8O5S.C21H39N3O5.3C21H37N3O4.C21H40O6.C19H33N3O4.C18H36O7.C16H32O6.C14H28O5.C14H30O4/c1-27-9-8-10-33(19-27)43(56)51-35-21-37(29(3)47-24-35)34-20-38(53-15-17-59-18-16-53)42(48-23-34)52-41(46(5,6)7)45(58)54-25-36(55)22-39(54)44(57)50-28(2)31-11-13-32(14-12-31)40-30(4)49-26-60-40;1-18(2)21(25)8-6-5-7-9-24-16-20(22-23-24)17-28-13-12-26-10-11-27-14-15-29-19(3)4;3*1-16(2)21(25)8-6-5-7-10-24-13-18(22-23-24)14-26-15-20-12-19(9-11-27-20)28-17(3)4;1-18(2)21(23)10-8-6-5-7-9-20(22)17-26-14-13-24-11-12-25-15-16-27-19(3)4;1-15(2)26-18-8-10-25-19(11-18)14-24-13-17-12-22(21-20-17)9-6-4-5-7-16(3)23;1-16(2)18(19)15-24-12-11-22-8-7-20-5-6-21-9-10-23-13-14-25-17(3)4;1-14(2)16(17)13-21-10-9-19-6-5-18-7-8-20-11-12-22-15(3)4;1-12(2)14(15)11-18-8-7-16-5-6-17-9-10-19-13(3)4;1-13(2)5-6-15-7-8-16-9-10-17-11-12-18-14(3)4/h8-14,19-21,23-24,26,28,36,39,41,55H,15-18,22,25H2,1-7H3,(H,48,52)(H,50,57)(H,51,56);16,18-19H,5-15,17H2,1-4H3;3*13,16-17,19-20H,5-12,14-15H2,1-4H3;18-19H,5-17H2,1-4H3;12,15,18-19H,4-11,13-14H2,1-3H3;16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3;13-14H,5-12H2,1-4H3/t28-,36+,39?,41+;;19-,20+;2*19-,20-;;18-,19+;;;;/m0.010.1..../s1.
What are the key properties of (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one?
(4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one has a molecular weight of 4410.95 g/mol, XLogP of 34.77, 162 rotatable bonds, 4 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2S)-3,3-dimethyl-2-[[5-[2-methyl-5-[(3-methylbenzoyl)amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butane;3-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxymethyl]triazol-1-yl]octan-3-one;10-methyl-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]undecane-2,9-dione;2-methyl-8-[4-[[(2R,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2S,4S)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;2-methyl-8-[4-[[(2R,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]octan-3-one;7-[4-[[(2S,4R)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]triazol-1-yl]heptan-2-one is sourced from PubChem (CID 159263450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).