General Information of the Compound
| Compound ID |
CP0447822
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| Compound Name |
2-(6,7-dimethoxyquinazolin-4-yl)-5-(4-methylphenyl)pyrazol-3-amine
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| Structure |
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(cc3N)-c3ccc(C)cc3)c2cc1OC
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| InChI |
InChI=1S/C20H19N5O2/c1-12-4-6-13(7-5-12)15-10-19(21)25(24-15)20-14-8-17(26-2)18(27-3)9-16(14)22-11-23-20/h4-11H,21H2,1-3H3
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| InChIKey |
HOWAWXNZKZCZFE-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