General Information of the Compound
| Compound ID |
CP0386904
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| Compound Name |
(8S,11R,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-[4-[methyl(propan-2-yl)amino]phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C34H45NO2
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| Molecular Weight |
499.739
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| Canonical SMILES |
CC(C)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C34H45NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,28-30,37H,10,13-17,21H2,1-7H3/t28-,29+,30-,33-,34+/m0/s1
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| InChIKey |
ZFANCJCWUTYTKS-GAXVQCDJSA-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