General Information of the Compound
| Compound ID |
CP0888267
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| Compound Name |
(3S,8R,9S,10R,13S)-17-(5-(difluoromethyl)pyridin-3-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Structure |
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| Formula |
C25H29F2NO
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| Molecular Weight |
397.509
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C1=CC=C2c1cncc(C(F)F)c1
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| InChI |
InChI=1S/C25H29F2NO/c1-24-9-7-18(29)12-17(24)3-4-19-21-6-5-20(25(21,2)10-8-22(19)24)15-11-16(23(26)27)14-28-13-15/h3,5-6,11,13-14,18-19,22-23,29H,4,7-10,12H2,1-2H3/t18-,19-,22-,24-,25+/m0/s1
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| InChIKey |
LLUUYHPYMYXSQU-ILQNBUCISA-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