5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one

C127H177N23O13 — CID 160565829

IUPAC5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CC(=O)N1CCC(N2CCC(c3ccc4c(c3)CC(=O)N4)CC2)CC1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.O=C1Cc2cc(C3CCNCC3)ccc2N1
InChIInChI=1S/C34H48N6O3.C33H44N6O3.C20H27N3O2.C14H23N3O2.C13H19N3O2.C13H16N2O/c1-6-38(7-2)19-14-35-34(43)32-22(3)31(36-23(32)4)21-29-28-20-26(8-9-30(28)37-33(29)42)25-10-15-40(16-11-25)27-12-17-39(18-13-27)24(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-14(24)22-10-6-18(7-11-22)23-8-4-15(5-9-23)16-2-3-19-17(12-16)13-20(25)21-19;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;1-9-11(8-17)14-10(2)12(9)13(18)16-6-4-15(3)5-7-16;16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h8-9,20-21,25,27,36H,6-7,10-19H2,1-5H3,(H,35,43)(H,37,42);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);2-3,12,15,18H,4-11,13H2,1H3,(H,21,25);9,16H,5-8H2,1-4H3,(H,15,19);8,14H,4-7H2,1-3H3;1-2,7,9,14H,3-6,8H2,(H,15,16)/b29-21-;28-20-;;;;
InChIKeyQZXGGZBOUBVAHO-FPCGJDFISA-N
MW2233.96 g/mol
LogP14.46
Rot. Bonds25

About 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one

5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one (PubChem CID 160565829) has the molecular formula C127H177N23O13 and a molecular weight of 2233.96 g/mol. Its IUPAC name is 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one
PubChem CID160565829
Molecular FormulaC127H177N23O13
Molecular Weight2233.96 g/mol
Exact Mass2232.39
IUPAC Name5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESCC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CC(=O)N1CCC(N2CCC(c3ccc4c(c3)CC(=O)N4)CC2)CC1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.O=C1Cc2cc(C3CCNCC3)ccc2N1
InChIInChI=1S/C34H48N6O3.C33H44N6O3.C20H27N3O2.C14H23N3O2.C13H19N3O2.C13H16N2O/c1-6-38(7-2)19-14-35-34(43)32-22(3)31(36-23(32)4)21-29-28-20-26(8-9-30(28)37-33(29)42)25-10-15-40(16-11-25)27-12-17-39(18-13-27)24(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-14(24)22-10-6-18(7-11-22)23-8-4-15(5-9-23)16-2-3-19-17(12-16)13-20(25)21-19;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;1-9-11(8-17)14-10(2)12(9)13(18)16-6-4-15(3)5-7-16;16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h8-9,20-21,25,27,36H,6-7,10-19H2,1-5H3,(H,35,43)(H,37,42);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);2-3,12,15,18H,4-11,13H2,1H3,(H,21,25);9,16H,5-8H2,1-4H3,(H,15,19);8,14H,4-7H2,1-3H3;1-2,7,9,14H,3-6,8H2,(H,15,16)/b29-21-;28-20-;;;;
InChIKeyQZXGGZBOUBVAHO-FPCGJDFISA-N
XLogP14.46
TPSA408.16 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002233.96
LogP ≤ 514.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one (CID 160565829) is 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one is CC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CC(=O)N1CCC(N2CCC(c3ccc4c(c3)CC(=O)N4)CC2)CC1.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)N1CCN(C)CC1.O=C1Cc2cc(C3CCNCC3)ccc2N1.
What is the InChIKey of 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one?
The InChIKey is QZXGGZBOUBVAHO-FPCGJDFISA-N. The full InChI is InChI=1S/C34H48N6O3.C33H44N6O3.C20H27N3O2.C14H23N3O2.C13H19N3O2.C13H16N2O/c1-6-38(7-2)19-14-35-34(43)32-22(3)31(36-23(32)4)21-29-28-20-26(8-9-30(28)37-33(29)42)25-10-15-40(16-11-25)27-12-17-39(18-13-27)24(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-14(24)22-10-6-18(7-11-22)23-8-4-15(5-9-23)16-2-3-19-17(12-16)13-20(25)21-19;1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4;1-9-11(8-17)14-10(2)12(9)13(18)16-6-4-15(3)5-7-16;16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h8-9,20-21,25,27,36H,6-7,10-19H2,1-5H3,(H,35,43)(H,37,42);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);2-3,12,15,18H,4-11,13H2,1H3,(H,21,25);9,16H,5-8H2,1-4H3,(H,15,19);8,14H,4-7H2,1-3H3;1-2,7,9,14H,3-6,8H2,(H,15,16)/b29-21-;28-20-;;;;.
What are the key properties of 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one?
5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one has a molecular weight of 2233.96 g/mol, XLogP of 14.46, 25 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1,3-dihydroindol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde;5-piperidin-4-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 160565829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).