General Information of the Compound
| Compound ID |
CP0128778
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| Compound Name |
2-[amino-(3-chlorophenyl)methyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C18H14ClN5O
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| Molecular Weight |
351.797
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| Canonical SMILES |
NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C18H14ClN5O/c19-13-3-1-2-11(6-13)16(20)17-23-15-5-4-10(12-8-21-22-9-12)7-14(15)18(25)24-17/h1-9,16H,20H2,(H,21,22)(H,23,24,25)
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| InChIKey |
NMVQKQZIFRBWNR-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