General Information of the Compound
| Compound ID |
CP0352184
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| Compound Name |
3a,10-Dimethyl-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 |
C18H19F3N2O
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| Molecular Weight |
336.357
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| Canonical SMILES |
Cn1c2cc3N4CCCC4(C)CCc3cc2c(cc1=O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N2O/c1-17-5-3-7-23(17)14-10-15-12(8-11(14)4-6-17)13(18(19,20)21)9-16(24)22(15)2/h8-10H,3-7H2,1-2H3
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| InChIKey |
ORGKYZVJZBDUGT-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