General Information of the Compound
| Compound ID |
CP0505543
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| Compound Name |
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-N,10-dihydroxy-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-carboxamide
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| Structure |
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| Formula |
C30H47NO4
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| Molecular Weight |
485.709
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| Canonical SMILES |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)NO
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| InChI |
InChI=1S/C30H47NO4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(34)31-35)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33,35H,8-15,17H2,1-7H3,(H,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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| InChIKey |
VVDYUUICXHIODD-YKLVYJNSSA-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