General Information of the Compound
| Compound ID |
CP0386167
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| Compound Name |
(2'S,8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxepan]-7'-one
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| Structure |
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| Formula |
C23H30O3
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| Molecular Weight |
354.49
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCCCC(=O)O1
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| InChI |
InChI=1S/C23H30O3/c1-22-12-9-18-17-8-6-16(24)14-15(17)5-7-19(18)20(22)10-13-23(22)11-3-2-4-21(25)26-23/h6,8,14,18-20,24H,2-5,7,9-13H2,1H3/t18-,19-,20+,22+,23+/m1/s1
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| InChIKey |
QBMIPNMCJMPUOV-IDNQLYMWSA-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