General Information of the Compound
| Compound ID |
CP0921841
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| Compound Name |
(3R,8R,9S,10S,13S,14S)-17-(5-fluoropyridin-3-yl)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Structure |
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| Formula |
C25H34FNO
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| Molecular Weight |
383.551
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| Canonical SMILES |
C[C@@]1(O)CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cncc(F)c4)=CC[C@@H]32)C1
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| InChI |
InChI=1S/C25H34FNO/c1-23(28)10-11-24(2)17(13-23)4-5-19-21-7-6-20(16-12-18(26)15-27-14-16)25(21,3)9-8-22(19)24/h6,12,14-15,17,19,21-22,28H,4-5,7-11,13H2,1-3H3/t17?,19-,21-,22-,23+,24-,25+/m0/s1
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| InChIKey |
POGSFWBZUWHFKY-QZSTUYHJSA-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