General Information of the Compound
| Compound ID |
CP0087434
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| Compound Name |
3a-Methyl-7-trifluoromethyl-1,2,3a,4,5,10-hexahydro-3H-10,11b-diaza-cyclopenta[a]anthracen-9-one
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| Structure |
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| Formula |
C17H17F3N2O
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| Molecular Weight |
322.33
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| Canonical SMILES |
CC12CCCN1c1cc3[nH]c(=O)cc(c3cc1CC2)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N2O/c1-16-4-2-6-22(16)14-9-13-11(7-10(14)3-5-16)12(17(18,19)20)8-15(23)21-13/h7-9H,2-6H2,1H3,(H,21,23)
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| InChIKey |
KULRLQMNNXXRGL-UHFFFAOYSA-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: PT01172, Progesterone receptor