General Information of the Compound
| Compound ID |
CP0401984
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| Compound Name |
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H24ClN5O
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| Molecular Weight |
397.91
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| Canonical SMILES |
COc1ccc(CNc2nc(nc3ccc(Cl)cc23)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C21H24ClN5O/c1-26-9-11-27(12-10-26)21-24-19-8-5-16(22)13-18(19)20(25-21)23-14-15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,25)
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| InChIKey |
WLKCSPVGPMCSMZ-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