cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate

C147H156F3N15O20 — CID 162133697

IUPACcyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)c1ccccc1.CCC(C)C(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(C)C.N#Cc1c(-c2ccc(NC(=O)OC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOC3)ccc12
InChIInChI=1S/C32H31N3O4.2C30H35N3O4.C28H29N3O4.C27H26F3N3O4/c1-21(22-6-3-2-4-7-22)38-32(36)34-24-12-10-23(11-13-24)31-29(19-33)28-15-14-26(39-27-16-17-37-20-27)18-30(28)35(31)25-8-5-9-25;1-4-19(2)20(3)36-30(34)32-22-10-8-21(9-11-22)29-27(17-31)26-13-12-24(37-25-14-15-35-18-25)16-28(26)33(29)23-6-5-7-23;1-4-28(19(2)3)37-30(34)32-21-10-8-20(9-11-21)29-26(17-31)25-13-12-23(36-24-14-15-35-18-24)16-27(25)33(29)22-6-5-7-22;29-16-25-24-12-11-22(34-23-13-14-33-17-23)15-26(24)31(20-3-1-4-20)27(25)18-7-9-19(10-8-18)30-28(32)35-21-5-2-6-21;1-16(27(28,29)30)36-26(34)32-18-7-5-17(6-8-18)25-23(14-31)22-10-9-20(37-21-11-12-35-15-21)13-24(22)33(25)19-3-2-4-19/h2-4,6-7,10-15,18,21,25,27H,5,8-9,16-17,20H2,1H3,(H,34,36);8-13,16,19-20,23,25H,4-7,14-15,18H2,1-3H3,(H,32,34);8-13,16,19,22,24,28H,4-7,14-15,18H2,1-3H3,(H,32,34);7-12,15,20-21,23H,1-6,13-14,17H2,(H,30,32);5-10,13,16,19,21H,2-4,11-12,15H2,1H3,(H,32,34)
InChIKeyZIZKXHNHNXZBRT-UHFFFAOYSA-N
MW2509.94 g/mol
LogP34.24
Rot. Bonds35

About cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate

cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 162133697) has the molecular formula C147H156F3N15O20 and a molecular weight of 2509.94 g/mol. Its IUPAC name is cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID162133697
Molecular FormulaC147H156F3N15O20
Molecular Weight2509.94 g/mol
Exact Mass2508.16
IUPAC Namecyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)c1ccccc1.CCC(C)C(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(C)C.N#Cc1c(-c2ccc(NC(=O)OC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOC3)ccc12
InChIInChI=1S/C32H31N3O4.2C30H35N3O4.C28H29N3O4.C27H26F3N3O4/c1-21(22-6-3-2-4-7-22)38-32(36)34-24-12-10-23(11-13-24)31-29(19-33)28-15-14-26(39-27-16-17-37-20-27)18-30(28)35(31)25-8-5-9-25;1-4-19(2)20(3)36-30(34)32-22-10-8-21(9-11-22)29-27(17-31)26-13-12-24(37-25-14-15-35-18-25)16-28(26)33(29)23-6-5-7-23;1-4-28(19(2)3)37-30(34)32-21-10-8-20(9-11-21)29-26(17-31)25-13-12-23(36-24-14-15-35-18-24)16-27(25)33(29)22-6-5-7-22;29-16-25-24-12-11-22(34-23-13-14-33-17-23)15-26(24)31(20-3-1-4-20)27(25)18-7-9-19(10-8-18)30-28(32)35-21-5-2-6-21;1-16(27(28,29)30)36-26(34)32-18-7-5-17(6-8-18)25-23(14-31)22-10-9-20(37-21-11-12-35-15-21)13-24(22)33(25)19-3-2-4-19/h2-4,6-7,10-15,18,21,25,27H,5,8-9,16-17,20H2,1H3,(H,34,36);8-13,16,19-20,23,25H,4-7,14-15,18H2,1-3H3,(H,32,34);8-13,16,19,22,24,28H,4-7,14-15,18H2,1-3H3,(H,32,34);7-12,15,20-21,23H,1-6,13-14,17H2,(H,30,32);5-10,13,16,19,21H,2-4,11-12,15H2,1H3,(H,32,34)
InChIKeyZIZKXHNHNXZBRT-UHFFFAOYSA-N
XLogP34.24
TPSA427.55 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002509.94
LogP ≤ 534.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 49772882
[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 49772886
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate
CID 49772956
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
CID 49773156
isopropyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
CID 49773157
isopropyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluoro-phenyl]carbamate
CID 49773209
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluoro-phenyl]carbamate
CID 49773212
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 24962266
2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694127
1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425023
[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59425038
(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
CID 59425053

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate (CID 162133697) is cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)c1ccccc1.CCC(C)C(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1.CCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOC4)cc3n2C2CCC2)cc1)C(C)C.N#Cc1c(-c2ccc(NC(=O)OC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOC3)ccc12.
What is the InChIKey of cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is ZIZKXHNHNXZBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4.2C30H35N3O4.C28H29N3O4.C27H26F3N3O4/c1-21(22-6-3-2-4-7-22)38-32(36)34-24-12-10-23(11-13-24)31-29(19-33)28-15-14-26(39-27-16-17-37-20-27)18-30(28)35(31)25-8-5-9-25;1-4-19(2)20(3)36-30(34)32-22-10-8-21(9-11-22)29-27(17-31)26-13-12-24(37-25-14-15-35-18-25)16-28(26)33(29)23-6-5-7-23;1-4-28(19(2)3)37-30(34)32-21-10-8-20(9-11-21)29-26(17-31)25-13-12-23(36-24-14-15-35-18-24)16-27(25)33(29)22-6-5-7-22;29-16-25-24-12-11-22(34-23-13-14-33-17-23)15-26(24)31(20-3-1-4-20)27(25)18-7-9-19(10-8-18)30-28(32)35-21-5-2-6-21;1-16(27(28,29)30)36-26(34)32-18-7-5-17(6-8-18)25-23(14-31)22-10-9-20(37-21-11-12-35-15-21)13-24(22)33(25)19-3-2-4-19/h2-4,6-7,10-15,18,21,25,27H,5,8-9,16-17,20H2,1H3,(H,34,36);8-13,16,19-20,23,25H,4-7,14-15,18H2,1-3H3,(H,32,34);8-13,16,19,22,24,28H,4-7,14-15,18H2,1-3H3,(H,32,34);7-12,15,20-21,23H,1-6,13-14,17H2,(H,30,32);5-10,13,16,19,21H,2-4,11-12,15H2,1H3,(H,32,34).
What are the key properties of cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate?
cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2509.94 g/mol, XLogP of 34.24, 35 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 162133697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).