General Information of the Compound
| Compound ID |
CP0378936
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| Compound Name |
1-((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-2-yl)urea
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| Structure |
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| Formula |
C32H48N4O5
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| Molecular Weight |
568.759
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| Canonical SMILES |
C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O
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| InChI |
InChI=1S/C32H48N4O5/c1-27(2)21-8-11-32(7)23(30(21,5)10-9-22(27)40-25-34-26(39)41-36-25)20(37)16-18-19-17-29(4,35-24(33)38)14-12-28(19,3)13-15-31(18,32)6/h16,19,21-23H,8-15,17H2,1-7H3,(H3,33,35,38)(H,34,36,39)/t19-,21-,22-,23+,28+,29-,30-,31+,32+/m0/s1
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| InChIKey |
HOKWINYUFDACLI-UOEOWSRYSA-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