General Information of the Compound
| Compound ID |
CP0386905
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| Compound Name |
(8S,11S,13S,14S,17S)-11-[4-(dimethylamino)-2,6-difluorophenyl]-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-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 |
C32H39F2NO2
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| Molecular Weight |
507.665
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| Canonical SMILES |
CN(C)c1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C23)c(F)c1
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| InChI |
InChI=1S/C32H39F2NO2/c1-30(2,3)13-14-32(37)12-11-25-23-9-7-19-15-21(36)8-10-22(19)28(23)24(18-31(25,32)4)29-26(33)16-20(35(5)6)17-27(29)34/h15-17,23-25,37H,7-12,18H2,1-6H3/t23-,24-,25-,31-,32+/m0/s1
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| InChIKey |
ALNFSUQOFOIILW-GNGXNYHQSA-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