General Information of the Compound
| Compound ID |
CP0101907
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| Compound Name |
7-methyl-4-(3-(pyridin-3-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C22H16F3N3O
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| Molecular Weight |
395.384
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1
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| InChI |
InChI=1S/C22H16F3N3O/c1-13-8-19-20(10-17(13)22(23,24)25)28-21(29)11-18(27-19)15-5-2-4-14(9-15)16-6-3-7-26-12-16/h2-10,12H,11H2,1H3,(H,28,29)
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| InChIKey |
WLGXHFREMLNUDH-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