General Information of the Compound
| Compound ID |
CP0501125
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| Compound Name |
(8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-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 |
C28H30F2O3
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| Molecular Weight |
452.541
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| Canonical SMILES |
COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/m0/s1
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| InChIKey |
JKAJJIWLUYWOGD-JJISONHXSA-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