General Information of the Compound
| Compound ID |
CP0522989
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| Compound Name |
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[4-oxo-3-[4-(trifluoromethyl)phenyl]phthalazin-6-yl]benzamide
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| Structure |
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| Formula |
C28H24ClF3N4O3
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| Molecular Weight |
556.972
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| Canonical SMILES |
CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2cnn(-c3ccc(cc3)C(F)(F)F)c(=O)c2c1
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| InChI |
InChI=1S/C28H24ClF3N4O3/c1-27(2,3)26(39)33-14-16-4-11-23(29)22(12-16)24(37)35-19-8-5-17-15-34-36(25(38)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13,15H,14H2,1-3H3,(H,33,39)(H,35,37)
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| InChIKey |
DDKYJBHSKHGMFK-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