General Information of the Compound
| Compound ID |
CP0453424
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| Compound Name |
[(3S,5R,8R,9R,10R,12R,13S,14R,17R)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-15-oxo-1,2,3,5,6,7,9,11,12,13,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate
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| Structure |
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| Formula |
C24H38O5
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| Molecular Weight |
406.563
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| Canonical SMILES |
CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]2(C)[C@H]1[C@H](O)CC2=O
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| InChI |
InChI=1S/C24H38O5/c1-13(25)29-15-12-17-22(4)9-8-18(27)21(2,3)16(22)7-10-23(17,5)24(6)19(28)11-14(26)20(15)24/h14-18,20,26-27H,7-12H2,1-6H3/t14-,15-,16+,17-,18+,20+,22+,23-,24-/m1/s1
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| InChIKey |
LUZLPULOHLRSON-AXEWUURISA-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1