General Information of the Compound
| Compound ID |
CP0405802
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| Compound Name |
(3R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-phenyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C25H34O2
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| Molecular Weight |
366.545
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4C[C@](O)(CC[C@]34C)c3ccccc3)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C25H34O2/c1-23-14-15-25(27,17-6-4-3-5-7-17)16-18(23)8-9-19-20-10-11-22(26)24(20,2)13-12-21(19)23/h3-7,18-21,27H,8-16H2,1-2H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
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| InChIKey |
FBCINCBIRWVDGR-VOTDOTPFSA-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