General Information of the Compound
| Compound ID |
CP0046579
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| Compound Name |
ethyl 2-acetyl-5-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1,3-dihydroindene-2-carboxylate
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| Structure |
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| Formula |
C32H38O5
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| Molecular Weight |
502.651
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccc(cc2C1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(C)=O
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| InChI |
InChI=1S/C32H38O5/c1-4-37-29(35)31(19(2)33)17-21-5-7-23(15-22(21)18-31)32(36)14-12-28-27-9-6-20-16-24(34)8-10-25(20)26(27)11-13-30(28,32)3/h5,7-8,10,15-16,26-28,34,36H,4,6,9,11-14,17-18H2,1-3H3/t26-,27-,28+,30+,31?,32-/m1/s1
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| InChIKey |
MHEQZALMUWNYOD-RECUOTGHSA-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