General Information of the Compound
| Compound ID |
CP0237659
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| Compound Name |
4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7,8-bis(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C24H17F6N3O
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| Molecular Weight |
477.408
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| Canonical SMILES |
Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(c(cc2NC(=O)C1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H17F6N3O/c1-12-6-16(7-13(2)31-12)14-4-3-5-15(8-14)19-11-22(34)33-21-10-18(24(28,29)30)17(23(25,26)27)9-20(21)32-19/h3-10H,11H2,1-2H3,(H,33,34)
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| InChIKey |
RDJDMZJABCQSJX-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