General Information of the Compound
| Compound ID |
CP0349551
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| Compound Name |
4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C19H14F3N5O
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| Molecular Weight |
385.349
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1
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| InChI |
InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
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| InChIKey |
JOYIPFAAAYEHOM-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