General Information of the Compound
| Compound ID |
CP0415338
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| Compound Name |
[(3S,5R,8R,9R,10R,12R,13S,14R,17R)-3-hydroxy-17-methoxy-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 |
C25H40O5
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| Molecular Weight |
420.59
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| Canonical SMILES |
CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
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| InChI |
InChI=1S/C25H40O5/c1-14(26)30-16-12-18-23(4)10-9-19(27)22(2,3)17(23)8-11-24(18,5)25(6)20(28)13-15(29-7)21(16)25/h15-19,21,27H,8-13H2,1-7H3/t15-,16-,17+,18-,19+,21+,23+,24-,25-/m1/s1
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| InChIKey |
CTERVLHXMOVKJM-YLXWABNASA-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
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2