General Information of the Compound
| Compound ID |
CP0862438
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| Compound Name |
(4R,10S,12R)-17-((S)-5-Fluoro-pyridin-3-yl)-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,20-dodecahydro-6H-cyclopropa[6,7]cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C25H28FNO
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| Molecular Weight |
377.503
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| Canonical SMILES |
C[C@]12CCC(=O)C=C1C1CC1[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12
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| InChI |
InChI=1S/C25H28FNO/c1-24-8-6-21-23(18-11-17(18)22-10-16(28)5-7-25(21,22)2)20(24)4-3-19(24)14-9-15(26)13-27-12-14/h3,9-10,12-13,17-18,20-21,23H,4-8,11H2,1-2H3/t17?,18?,20-,21-,23-,24+,25+/m0/s1
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| InChIKey |
FKVIPDWEMASMFT-ODCXVSDJSA-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