General Information of the Compound
| Compound ID |
CP0538860
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| Compound Name |
[N-[4-(3-methoxyanilino)-2-pyridin-3-ylquinazolin-6-yl]-C-methylcarbonimidoyl] acetate
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| Formula |
C24H21N5O3
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| Molecular Weight |
427.464
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| Canonical SMILES |
COc1cccc(Nc2nc(nc3ccc(cc23)\N=C(/C)OC(C)=O)-c2cccnc2)c1
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| InChI |
InChI=1S/C24H21N5O3/c1-15(32-16(2)30)26-19-9-10-22-21(13-19)24(27-18-7-4-8-20(12-18)31-3)29-23(28-22)17-6-5-11-25-14-17/h4-14H,1-3H3,(H,27,28,29)/b26-15+
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| InChIKey |
FFJHEOFLCXZBCM-CVKSISIWSA-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