General Information of the Compound
| Compound ID |
CP0059764
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| Compound Name |
(8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H33FO4
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| Molecular Weight |
464.577
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| Canonical SMILES |
COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1
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| InChI |
InChI=1S/C29H33FO4/c1-5-11-29(32)12-10-23-21-8-6-17-13-18(31)7-9-20(17)26(21)22(16-28(23,29)2)27-24(30)14-19(33-3)15-25(27)34-4/h13-15,21-23,32H,6-10,12,16H2,1-4H3/t21-,22-,23-,28-,29-/m0/s1
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| InChIKey |
RXOGVAGGTAGMEV-ZYISVJEGSA-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