General Information of the Compound
| Compound ID |
CP0573343
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| Compound Name |
(8R,9S,13S,14S,17R)-17-[(2,6-dichlorophenyl)methyl]-13-methyl-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 |
C25H28Cl2O2
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| Molecular Weight |
431.403
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)Cc1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H28Cl2O2/c1-24-11-9-18-17-8-6-16(28)13-15(17)5-7-19(18)21(24)10-12-25(24,29)14-20-22(26)3-2-4-23(20)27/h2-4,6,8,13,18-19,21,28-29H,5,7,9-12,14H2,1H3/t18-,19-,21+,24+,25-/m1/s1
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| InChIKey |
IQFRLLQQBODHNR-KZYPNPOXSA-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