General Information of the Compound
| Compound ID |
CP0396800
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| Compound Name |
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-10,13-dimethyl-17-(3-methylbut-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 |
C32H43NO2
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| Molecular Weight |
473.701
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| Canonical SMILES |
CC(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C32H43NO2/c1-21(2)13-17-32(35)18-15-28-26-12-9-23-19-25(34)14-16-30(23,3)29(26)27(20-31(28,32)4)22-7-10-24(11-8-22)33(5)6/h7-8,10-11,19,21,26-29,35H,9,12,14-16,18,20H2,1-6H3/t26-,27+,28-,29+,30-,31-,32-/m0/s1
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| InChIKey |
JYIZKFANKNAGAJ-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