General Information of the Compound
| Compound ID |
CP0574112
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| Compound Name |
3-(aminomethyl)-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C26H21ClN6O2
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| Molecular Weight |
484.947
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| Canonical SMILES |
NCc1cccc(c1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C26H21ClN6O2/c27-20-7-4-16(5-8-20)23(32-25(34)18-3-1-2-15(10-18)12-28)24-31-22-9-6-17(19-13-29-30-14-19)11-21(22)26(35)33-24/h1-11,13-14,23H,12,28H2,(H,29,30)(H,32,34)(H,31,33,35)
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| InChIKey |
TWIVYLNQJXOFFE-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