General Information of the Compound
| Compound ID |
CP0438094
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| Compound Name |
(8S,9R,10R,11S,13S,14S,17S)-17-hydroxy-11-[4-[2-methoxyethyl(methyl)amino]phenyl]-10,13-dimethyl-17-prop-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 |
C32H43NO3
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| Molecular Weight |
489.7
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| Canonical SMILES |
COCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12
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| InChI |
InChI=1S/C32H43NO3/c1-6-15-32(35)17-14-28-26-12-9-23-20-25(34)13-16-30(23,2)29(26)27(21-31(28,32)3)22-7-10-24(11-8-22)33(4)18-19-36-5/h7-8,10-11,20,26-29,35H,9,12-14,16-19,21H2,1-5H3/t26-,27+,28-,29+,30-,31-,32-/m0/s1
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| InChIKey |
JMNCQBRDSLFPEF-XVFXGUTESA-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