General Information of the Compound
| Compound ID |
CP0881037
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| Compound Name |
(3R,10S,13S)-3-(2-Cyclohexyl-ethyl)-3-methoxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C28H46O2
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| Molecular Weight |
414.674
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| Canonical SMILES |
CO[C@]1(CCC2CCCCC2)CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
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| InChI |
InChI=1S/C28H46O2/c1-26-17-18-28(30-3,16-13-20-7-5-4-6-8-20)19-21(26)9-10-22-23-11-12-25(29)27(23,2)15-14-24(22)26/h20-24H,4-19H2,1-3H3/t21?,22-,23-,24-,26-,27-,28+/m0/s1
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| InChIKey |
GNDHVOPOCXMQSU-BDVLNOFUSA-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