1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride
C137H179Cl2F6N21O10S2 — CID 160862753
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2CC1(O)CCC1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.Cl.Cl
InChIInChI=1S/C28H35F3N4O.C28H39N7O2.C28H37N3O3S.C27H33F3N4O.C26H33N3O3S.2ClH/c1-20-16-24(28(29,30)31)32-17-23(20)34-19-26(35(25(34)36)18-21-8-7-9-21)12-14-27(15-13-26,33(2)3)22-10-5-4-6-11-22;1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-34(25(36)35(26)21-27(37)8-5-9-27)23-18-31-24(32-19-23)33-16-14-30-15-17-33;1-29(2)28(23-10-5-4-6-11-23)18-16-27(17-19-28)21-30(26(32)31(27)20-22-8-7-9-22)24-12-14-25(15-13-24)35(3,33)34;1-19-15-23(27(28,29)30)32-16-22(19)33-18-25(34(24(33)35)17-20-7-6-8-20)11-13-26(31-2,14-12-25)21-9-4-3-5-10-21;1-27-26(21-6-4-3-5-7-21)16-14-25(15-17-26)19-28(24(30)29(25)18-20-8-9-20)22-10-12-23(13-11-22)33(2,31)32;;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;2-4,6-7,18-19,29-30,37H,5,8-17,20-21H2,1H3;4-6,10-15,22H,7-9,16-21H2,1-3H3;3-5,9-10,15-16,20,31H,6-8,11-14,17-18H2,1-2H3;3-7,10-13,20,27H,8-9,14-19H2,1-2H3;2*1H
InChIKeyAHJZDGQGHYSVCG-UHFFFAOYSA-N
MW2529.10 g/mol
LogP24.49
Rot. Bonds28
About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 160862753) has the molecular formula C137H179Cl2F6N21O10S2 and a molecular weight of 2529.10 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride.
Molecular Properties
| Compound Name | 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride |
|---|---|
| PubChem CID | 160862753 |
| Molecular Formula | C137H179Cl2F6N21O10S2 |
| Molecular Weight | 2529.10 g/mol |
| Exact Mass | 2526.29 |
| IUPAC Name | 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride |
| SMILES | CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2CC1(O)CCC1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.Cl.Cl |
| InChI | InChI=1S/C28H35F3N4O.C28H39N7O2.C28H37N3O3S.C27H33F3N4O.C26H33N3O3S.2ClH/c1-20-16-24(28(29,30)31)32-17-23(20)34-19-26(35(25(34)36)18-21-8-7-9-21)12-14-27(15-13-26,33(2)3)22-10-5-4-6-11-22;1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-34(25(36)35(26)21-27(37)8-5-9-27)23-18-31-24(32-19-23)33-16-14-30-15-17-33;1-29(2)28(23-10-5-4-6-11-23)18-16-27(17-19-28)21-30(26(32)31(27)20-22-8-7-9-22)24-12-14-25(15-13-24)35(3,33)34;1-19-15-23(27(28,29)30)32-16-22(19)33-18-25(34(24(33)35)17-20-7-6-8-20)11-13-26(31-2,14-12-25)21-9-4-3-5-10-21;1-27-26(21-6-4-3-5-7-21)16-14-25(15-17-26)19-28(24(30)29(25)18-20-8-9-20)22-10-12-23(13-11-22)33(2,31)32;;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;2-4,6-7,18-19,29-30,37H,5,8-17,20-21H2,1H3;4-6,10-15,22H,7-9,16-21H2,1-3H3;3-5,9-10,15-16,20,31H,6-8,11-14,17-18H2,1-2H3;3-7,10-13,20,27H,8-9,14-19H2,1-2H3;2*1H |
| InChIKey | AHJZDGQGHYSVCG-UHFFFAOYSA-N |
| XLogP | 24.49 |
| TPSA | 315.66 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2529.10 |
| LogP ≤ 5 | 24.49 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 160862753) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2CC1(O)CCC1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.Cl.Cl.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride?
The InChIKey is AHJZDGQGHYSVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N4O.C28H39N7O2.C28H37N3O3S.C27H33F3N4O.C26H33N3O3S.2ClH/c1-20-16-24(28(29,30)31)32-17-23(20)34-19-26(35(25(34)36)18-21-8-7-9-21)12-14-27(15-13-26,33(2)3)22-10-5-4-6-11-22;1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-34(25(36)35(26)21-27(37)8-5-9-27)23-18-31-24(32-19-23)33-16-14-30-15-17-33;1-29(2)28(23-10-5-4-6-11-23)18-16-27(17-19-28)21-30(26(32)31(27)20-22-8-7-9-22)24-12-14-25(15-13-24)35(3,33)34;1-19-15-23(27(28,29)30)32-16-22(19)33-18-25(34(24(33)35)17-20-7-6-8-20)11-13-26(31-2,14-12-25)21-9-4-3-5-10-21;1-27-26(21-6-4-3-5-7-21)16-14-25(15-17-26)19-28(24(30)29(25)18-20-8-9-20)22-10-12-23(13-11-22)33(2,31)32;;/h4-6,10-11,16-17,21H,7-9,12-15,18-19H2,1-3H3;2-4,6-7,18-19,29-30,37H,5,8-17,20-21H2,1H3;4-6,10-15,22H,7-9,16-21H2,1-3H3;3-5,9-10,15-16,20,31H,6-8,11-14,17-18H2,1-2H3;3-7,10-13,20,27H,8-9,14-19H2,1-2H3;2*1H.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride?
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 2529.10 g/mol, XLogP of 24.49, 28 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 160862753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160862753 — identifiers, structure, computed properties (public domain)
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