(1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)
C101H126F2N9O20V3-3 — CID 159839681
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)
SMILESCC[C@@H]1[C@@H]2CN(C(=O)[C@H](C3(C)CCCC3)CC(=O)O[C@@H]3CC4CC4[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V]
InChIInChI=1S/C37H46F2N3O6.C33H42N3O7.C31H38N3O7.3V/c1-4-23-29(20-43)42-19-31(23)48-34-33(40-27-11-10-22(46-3)17-28(27)41-34)37(38,39)14-6-5-9-24-25-15-21(25)16-30(24)47-32(44)18-26(35(42)45)36(2)12-7-8-13-36;1-20-27(17-37)36-16-29(20)43-31-25(34-24-13-12-22(40-3)14-26(24)35-31)10-6-4-5-8-21-9-7-11-28(21)42-30(38)15-23(32(36)39)33(2)18-41-19-33;1-18-25(15-35)34-14-27(18)41-29-23(32-22-10-9-20(38-3)12-24(22)33-29)8-6-4-5-7-19-11-26(19)40-28(36)13-21(30(34)37)31(2)16-39-17-31;;;/h10-11,17,21,23-26,29-31H,4-9,12-16,18-19H2,1-3H3;12-14,20-21,23,27-29H,4-11,15-16,18-19H2,1-3H3;9-10,12,18-19,21,25-27H,4-8,11,13-14,16-17H2,1-3H3;;;/q3*-1;;;/t21?,23-,24+,25?,26+,29+,30+,31-;20-,21+,23+,27+,28+,29-;18-,19+,21+,25+,26+,27-;;;/m000.../s1
InChIKeyUYFUVTHXCIGIJQ-UFTZWGCESA-N
MW1976.99 g/mol
LogP14.19
Rot. Bonds10
About (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)
(1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) (PubChem CID 159839681) has the molecular formula C101H126F2N9O20V3-3 and a molecular weight of 1976.99 g/mol. Its IUPAC name is (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium).
Molecular Properties
| Compound Name | (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) |
|---|---|
| PubChem CID | 159839681 |
| Molecular Formula | C101H126F2N9O20V3-3 |
| Molecular Weight | 1976.99 g/mol |
| Exact Mass | 1975.74 |
| IUPAC Name | (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) |
| SMILES | CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C3(C)CCCC3)CC(=O)O[C@@H]3CC4CC4[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V] |
| InChI | InChI=1S/C37H46F2N3O6.C33H42N3O7.C31H38N3O7.3V/c1-4-23-29(20-43)42-19-31(23)48-34-33(40-27-11-10-22(46-3)17-28(27)41-34)37(38,39)14-6-5-9-24-25-15-21(25)16-30(24)47-32(44)18-26(35(42)45)36(2)12-7-8-13-36;1-20-27(17-37)36-16-29(20)43-31-25(34-24-13-12-22(40-3)14-26(24)35-31)10-6-4-5-8-21-9-7-11-28(21)42-30(38)15-23(32(36)39)33(2)18-41-19-33;1-18-25(15-35)34-14-27(18)41-29-23(32-22-10-9-20(38-3)12-24(22)33-29)8-6-4-5-7-19-11-26(19)40-28(36)13-21(30(34)37)31(2)16-39-17-31;;;/h10-11,17,21,23-26,29-31H,4-9,12-16,18-19H2,1-3H3;12-14,20-21,23,27-29H,4-11,15-16,18-19H2,1-3H3;9-10,12,18-19,21,25-27H,4-8,11,13-14,16-17H2,1-3H3;;;/q3*-1;;;/t21?,23-,24+,25?,26+,29+,30+,31-;20-,21+,23+,27+,28+,29-;18-,19+,21+,25+,26+,27-;;;/m000.../s1 |
| InChIKey | UYFUVTHXCIGIJQ-UFTZWGCESA-N |
| XLogP | 14.19 |
| TPSA | 342.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 135 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.99 |
| LogP ≤ 5 | 14.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)?
The IUPAC name of (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) (CID 159839681) is (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium).
What is the SMILES notation for (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)?
The canonical SMILES for (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) is CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C3(C)CCCC3)CC(=O)O[C@@H]3CC4CC4[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1[C-]=O.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)COC2)CC(=O)O[C@@H]2C[C@H]2CCCCC3)[C@H]([C-]=O)[C@@H]1C.[V].[V].[V].
What is the InChIKey of (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)?
The InChIKey is UYFUVTHXCIGIJQ-UFTZWGCESA-N. The full InChI is InChI=1S/C37H46F2N3O6.C33H42N3O7.C31H38N3O7.3V/c1-4-23-29(20-43)42-19-31(23)48-34-33(40-27-11-10-22(46-3)17-28(27)41-34)37(38,39)14-6-5-9-24-25-15-21(25)16-30(24)47-32(44)18-26(35(42)45)36(2)12-7-8-13-36;1-20-27(17-37)36-16-29(20)43-31-25(34-24-13-12-22(40-3)14-26(24)35-31)10-6-4-5-8-21-9-7-11-28(21)42-30(38)15-23(32(36)39)33(2)18-41-19-33;1-18-25(15-35)34-14-27(18)41-29-23(32-22-10-9-20(38-3)12-24(22)33-29)8-6-4-5-7-19-11-26(19)40-28(36)13-21(30(34)37)31(2)16-39-17-31;;;/h10-11,17,21,23-26,29-31H,4-9,12-16,18-19H2,1-3H3;12-14,20-21,23,27-29H,4-11,15-16,18-19H2,1-3H3;9-10,12,18-19,21,25-27H,4-8,11,13-14,16-17H2,1-3H3;;;/q3*-1;;;/t21?,23-,24+,25?,26+,29+,30+,31-;20-,21+,23+,27+,28+,29-;18-,19+,21+,25+,26+,27-;;;/m000.../s1.
What are the key properties of (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium)?
(1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) has a molecular weight of 1976.99 g/mol, XLogP of 14.19, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,18R,23R,27S,30S,31S)-31-ethyl-13,13-difluoro-7-methoxy-27-(1-methylcyclopentyl)-30-(oxomethyl)-2,24-dioxa-4,11,29-triazahexacyclo[27.2.1.03,12.05,10.018,23.019,21]dotriaconta-3,5(10),6,8,11-pentaene-25,28-dione;(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(3-methyloxetan-3-yl)-29-(oxomethyl)-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-24,27-dione;(1R,18R,20R,24S,27S,28S)-7-methoxy-28-methyl-24-(3-methyloxetan-3-yl)-27-(oxomethyl)-2,21-dioxa-4,11,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-22,25-dione;tris(vanadium) is sourced from PubChem (CID 159839681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159839681 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.