General Information of the Compound
| Compound ID |
CP0386908
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| Compound Name |
(8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(3-methylbut-1-ynyl)-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 |
C31H39NO2
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| Molecular Weight |
457.658
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| Canonical SMILES |
CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C31H39NO2/c1-20(2)14-16-31(34)17-15-28-26-12-8-22-18-24(33)11-13-25(22)29(26)27(19-30(28,31)3)21-6-9-23(10-7-21)32(4)5/h6-7,9-10,18,20,26-28,34H,8,11-13,15,17,19H2,1-5H3/t26-,27+,28-,30-,31-/m0/s1
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| InChIKey |
ZGYVOPDRAPLRAG-PABOLRIOSA-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