General Information of the Compound
| Compound ID |
CP0574113
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| Compound Name |
3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H19ClN6O2
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| Molecular Weight |
422.876
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| Canonical SMILES |
NCCC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C21H19ClN6O2/c22-15-4-1-12(2-5-15)19(27-18(29)7-8-23)20-26-17-6-3-13(14-10-24-25-11-14)9-16(17)21(30)28-20/h1-6,9-11,19H,7-8,23H2,(H,24,25)(H,27,29)(H,26,28,30)
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| InChIKey |
DEVQUNLMSSZVOY-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