General Information of the Compound
| Compound ID |
CP0862439
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| Compound Name |
(8R,9S,10R,13S)-17-(5-fluoropyridin-3-yl)-10,13-dimethyl-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 |
C24H26FNO
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| Molecular Weight |
363.476
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)C1=CC=C2c1cncc(F)c1
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| InChI |
InChI=1S/C24H26FNO/c1-23-9-7-18(27)12-16(23)3-4-19-21-6-5-20(15-11-17(25)14-26-13-15)24(21,2)10-8-22(19)23/h5-6,11-14,19,22H,3-4,7-10H2,1-2H3/t19-,22-,23-,24+/m0/s1
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| InChIKey |
MKLFOKUFONVFHZ-ZNEWLNCYSA-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