General Information of the Compound
| Compound ID |
CP0504626
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| Compound Name |
2-(6-(3-(aminomethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
NCc1cccc(c1)-c1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C27H26N4O2/c28-15-19-5-4-8-21(13-19)22-11-12-24-23(14-22)27(33)31(17-25(32)29-16-18-9-10-18)26(30-24)20-6-2-1-3-7-20/h1-8,11-14,18H,9-10,15-17,28H2,(H,29,32)
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| InChIKey |
RXLUWJRFPCJDJN-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