General Information of the Compound
| Compound ID |
CP0336099
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| Compound Name |
7-methyl-4-(3-(6-(pyrimidin-5-yl)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 |
C21H15F3N4O
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| Molecular Weight |
396.372
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| Canonical SMILES |
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C21H15F3N4O/c1-12-5-18-19(7-16(12)21(22,23)24)28-20(29)8-17(27-18)14-4-2-3-13(6-14)15-9-25-11-26-10-15/h2-7,9-11H,8H2,1H3,(H,28,29)
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| InChIKey |
QDLDPMCYEDESQJ-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