General Information of the Compound
| Compound ID |
CP0572713
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| Compound Name |
2-chloro-8-(trifluoromethyl)-6,11-dihydropyrimido[5,4-c][1]benzazepin-5-one
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| Structure |
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| Formula |
C13H7ClF3N3O
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| Molecular Weight |
313.666
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| Canonical SMILES |
FC(F)(F)c1ccc2Cc3nc(Cl)ncc3C(=O)Nc2c1
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| InChI |
InChI=1S/C13H7ClF3N3O/c14-12-18-5-8-10(20-12)3-6-1-2-7(13(15,16)17)4-9(6)19-11(8)21/h1-2,4-5H,3H2,(H,19,21)
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| InChIKey |
QUNVQOJCBRQSCD-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