General Information of the Compound
| Compound ID |
CP0531036
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| Compound Name |
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-17-(3,3,3-trifluoroprop-1-ynyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H36F3NO2
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| Molecular Weight |
499.617
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| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(F)(F)F)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12
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| InChI |
InChI=1S/C30H36F3NO2/c1-27-13-11-22(35)17-20(27)7-10-23-25-12-14-29(36,15-16-30(31,32)33)28(25,2)18-24(26(23)27)19-5-8-21(9-6-19)34(3)4/h5-6,8-9,17,23-26,36H,7,10-14,18H2,1-4H3/t23-,24+,25-,26+,27-,28-,29+/m0/s1
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| InChIKey |
KNWRNHMAMAMVEU-WMYRKXHHSA-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor