General Information of the Compound
| Compound ID |
CP0063111
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| Compound Name |
3-(2-methylbut-3-yn-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#C)cc1Nc1ccc2ncn(C)c(=O)c2c1
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| InChI |
InChI=1S/C28H26N4O2/c1-6-28(3,4)20-9-7-8-19(14-20)26(33)31-22-11-10-18(2)25(16-22)30-21-12-13-24-23(15-21)27(34)32(5)17-29-24/h1,7-17,30H,2-5H3,(H,31,33)
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| InChIKey |
WROPEIVESXJWPS-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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