General Information of the Compound
| Compound ID |
CP0036327
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| Compound Name |
7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C21H16F3N3O2
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| Molecular Weight |
399.372
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| Canonical SMILES |
Cc1cc(on1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N3O2/c1-11-6-17-18(9-15(11)21(22,23)24)26-20(28)10-16(25-17)13-4-3-5-14(8-13)19-7-12(2)27-29-19/h3-9H,10H2,1-2H3,(H,26,28)
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| InChIKey |
KSFDHAWWRWUGAG-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