General Information of the Compound
| Compound ID |
CP0881254
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| Compound Name |
(3S,8S,9S,10R,13S,14S)-6-fluoro-17-(5-fluoropyridin-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
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| Structure |
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| Formula |
C24H31F2NO2
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| Molecular Weight |
403.513
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC(F)C4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1
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| InChI |
InChI=1S/C24H31F2NO2/c1-22-7-6-20-17(10-21(26)24(29)11-16(28)5-8-23(20,24)2)19(22)4-3-18(22)14-9-15(25)13-27-12-14/h3,9,12-13,16-17,19-21,28-29H,4-8,10-11H2,1-2H3/t16-,17-,19-,20-,21?,22+,23+,24?/m0/s1
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| InChIKey |
NIRUKMZQAJQOKO-YMEXJKSDSA-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