General Information of the Compound
| Compound ID |
CP0402591
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| Compound Name |
(2S,4aS,6aS,6bR,8aR,12aS,12bR,14bR,E)-10-(methoxyimino)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
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| Structure |
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| Formula |
C31H47NO4
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| Molecular Weight |
497.72
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| Canonical SMILES |
CO\N=C1/CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
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| InChI |
InChI=1S/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/b32-23+/t20-,22-,24+,27+,28-,29-,30+,31+/m0/s1
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| InChIKey |
ZVNAOYPTGIUYRO-NLXZVWKGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2