General Information of the Compound
| Compound ID |
CP0883791
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| Compound Name |
(8R,9S,10R,13S)-17-(5-fluoropyridin-3-yl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13-octahydro-1H-cyclopenta[a]phenanthren-3(2H)-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 |
CC1C[C@H]2C3=CC=C(c4cncc(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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| InChI |
InChI=1S/C25H28FNO/c1-15-10-19-21-5-4-20(16-11-17(26)14-27-13-16)24(21,2)9-7-22(19)25(3)8-6-18(28)12-23(15)25/h4-5,11-15,19,22H,6-10H2,1-3H3/t15?,19-,22-,24+,25+/m0/s1
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| InChIKey |
MBANLNLVELBDFL-ZZVYBTOUSA-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