General Information of the Compound
| Compound ID |
CP0572645
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| Compound Name |
2-[amino-(4-chlorophenyl)methyl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C19H16ClN5O2
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| Molecular Weight |
381.823
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| Canonical SMILES |
COc1cc(cc2c1nc([nH]c2=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H16ClN5O2/c1-27-15-7-11(12-8-22-23-9-12)6-14-17(15)24-18(25-19(14)26)16(21)10-2-4-13(20)5-3-10/h2-9,16H,21H2,1H3,(H,22,23)(H,24,25,26)
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| InChIKey |
MPBXAFKZGHQKPT-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