General Information of the Compound
| Compound ID |
CP0393215
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| Compound Name |
6-chloro-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C20H20ClF2N5
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| Molecular Weight |
403.864
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C20H20ClF2N5/c1-27-6-8-28(9-7-27)20-25-18-5-3-14(21)11-15(18)19(26-20)24-12-13-2-4-16(22)17(23)10-13/h2-5,10-11H,6-9,12H2,1H3,(H,24,25,26)
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| InChIKey |
SMKOZZWIBRGRQG-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