7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
C130H117BBrClF4N22O9 — CID 164989025
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.O=C(Cl)C1CC1
InChIInChI=1S/C35H31FN6O.C35H30FN5O2.C23H22BN3O4.C21H19FN6O.C12H10BrFN2.C4H5ClO/c1-37-35(43)28-19-38-34(42(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(40-33)25-14-8-15-26(32(25)36)30-22-41-17-9-16-31(41)39-30;1-43-35(42)28-19-37-34(41(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(39-33)25-14-8-15-26(32(25)36)30-22-40-17-9-16-31(40)38-30;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-24-21(29)14-9-25-20(23)19-13(14)8-15(27-19)11-4-2-5-12(18(11)22)16-10-28-7-3-6-17(28)26-16;13-9-4-1-3-8(12(9)14)10-7-16-6-2-5-11(16)15-10;5-4(6)3-1-2-3/h2-8,10-15,18-19,22,40H,9,16-17,20-21H2,1H3,(H,37,43);2-8,10-15,18-19,22,39H,9,16-17,20-21H2,1H3;2-13,26,29-30H,14-15H2,1H3;2,4-5,8-10,27H,3,6-7H2,1H3,(H2,23,25)(H,24,29);1,3-4,7H,2,5-6H2;3H,1-2H2
InChIKeyGOXGBRLAPKLFKY-UHFFFAOYSA-N
MW2333.67 g/mol
LogP23.83
Rot. Bonds28
About 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 164989025) has the molecular formula C130H117BBrClF4N22O9 and a molecular weight of 2333.67 g/mol. Its IUPAC name is 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
Molecular Properties
| Compound Name | 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate |
|---|---|
| PubChem CID | 164989025 |
| Molecular Formula | C130H117BBrClF4N22O9 |
| Molecular Weight | 2333.67 g/mol |
| Exact Mass | 2330.83 |
| IUPAC Name | 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate |
| SMILES | CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.O=C(Cl)C1CC1 |
| InChI | InChI=1S/C35H31FN6O.C35H30FN5O2.C23H22BN3O4.C21H19FN6O.C12H10BrFN2.C4H5ClO/c1-37-35(43)28-19-38-34(42(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(40-33)25-14-8-15-26(32(25)36)30-22-41-17-9-16-31(41)39-30;1-43-35(42)28-19-37-34(41(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(39-33)25-14-8-15-26(32(25)36)30-22-40-17-9-16-31(40)38-30;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-24-21(29)14-9-25-20(23)19-13(14)8-15(27-19)11-4-2-5-12(18(11)22)16-10-28-7-3-6-17(28)26-16;13-9-4-1-3-8(12(9)14)10-7-16-6-2-5-11(16)15-10;5-4(6)3-1-2-3/h2-8,10-15,18-19,22,40H,9,16-17,20-21H2,1H3,(H,37,43);2-8,10-15,18-19,22,39H,9,16-17,20-21H2,1H3;2-13,26,29-30H,14-15H2,1H3;2,4-5,8-10,27H,3,6-7H2,1H3,(H2,23,25)(H,24,29);1,3-4,7H,2,5-6H2;3H,1-2H2 |
| InChIKey | GOXGBRLAPKLFKY-UHFFFAOYSA-N |
| XLogP | 23.83 |
| TPSA | 390.07 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 168 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2333.67 |
| LogP ≤ 5 | 23.83 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 164989025) is 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(-c4cn5c(n4)CCC5)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.O=C(Cl)C1CC1.
What is the InChIKey of 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is GOXGBRLAPKLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN6O.C35H30FN5O2.C23H22BN3O4.C21H19FN6O.C12H10BrFN2.C4H5ClO/c1-37-35(43)28-19-38-34(42(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(40-33)25-14-8-15-26(32(25)36)30-22-41-17-9-16-31(41)39-30;1-43-35(42)28-19-37-34(41(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)33-27(28)18-29(39-33)25-14-8-15-26(32(25)36)30-22-40-17-9-16-31(40)38-30;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-24-21(29)14-9-25-20(23)19-13(14)8-15(27-19)11-4-2-5-12(18(11)22)16-10-28-7-3-6-17(28)26-16;13-9-4-1-3-8(12(9)14)10-7-16-6-2-5-11(16)15-10;5-4(6)3-1-2-3/h2-8,10-15,18-19,22,40H,9,16-17,20-21H2,1H3,(H,37,43);2-8,10-15,18-19,22,39H,9,16-17,20-21H2,1H3;2-13,26,29-30H,14-15H2,1H3;2,4-5,8-10,27H,3,6-7H2,1H3,(H2,23,25)(H,24,29);1,3-4,7H,2,5-6H2;3H,1-2H2.
What are the key properties of 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2333.67 g/mol, XLogP of 23.83, 28 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;cyclopropanecarbonyl chloride;7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 164989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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