General Information of the Compound
| Compound ID |
CP0510938
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| Compound Name |
(8S,11R,13S,14S,17S)-11-(4-(dimethylphosphoryl)phenyl)-17-hydroxy-13-methyl-17-(prop-1-ynyl)-1,2,7,8,11,12,13,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3(14H)-one
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| Structure |
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| Formula |
C29H35O3P
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| Molecular Weight |
462.57
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)P(C)(C)=O
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| InChI |
InChI=1S/C29H35O3P/c1-5-15-29(31)16-14-26-24-12-8-20-17-21(30)9-13-23(20)27(24)25(18-28(26,29)2)19-6-10-22(11-7-19)33(3,4)32/h6-7,10-11,17,24-26,31H,8-9,12-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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| InChIKey |
YSJVBSSZEGNKMZ-GCNJZUOMSA-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor