General Information of the Compound
| Compound ID |
CP0450385
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| Compound Name |
6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C17H19ClN6S
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| Molecular Weight |
374.901
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2cncs2)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C17H19ClN6S/c1-23-4-6-24(7-5-23)17-21-15-3-2-12(18)8-14(15)16(22-17)20-10-13-9-19-11-25-13/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22)
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| InChIKey |
IOTPTXZZXUCFNO-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