General Information of the Compound
| Compound ID |
CP0396799
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| Compound Name |
(8R,9S,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylpent-1-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C33H45NO2
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| Molecular Weight |
487.728
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| Canonical SMILES |
CCC(C)(C)C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C33H45NO2/c1-7-31(2,3)18-19-33(36)17-16-29-27-14-10-23-20-25(35)13-15-26(23)30(27)28(21-32(29,33)4)22-8-11-24(12-9-22)34(5)6/h8-9,11-12,20,26-30,36H,7,10,13-17,21H2,1-6H3/t26-,27-,28+,29-,30+,32-,33+/m0/s1
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| InChIKey |
LLJGSOWEDLLWCV-ZNTNFDNYSA-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