General Information of the Compound
Compound ID |
CP0509712
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Compound Name |
(8R,9S,13S,14S,17R)-13-methyl-17-(2-phenylethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Structure |
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Formula |
C26H32O2
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Molecular Weight |
376.54
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Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CCc1ccccc1
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InChI |
InChI=1S/C26H32O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,11-16H2,1H3/t22-,23-,24+,25+,26+/m1/s1
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InChIKey |
BFXUQCHJYUVQMM-JMTTVTNBSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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