General Information of the Compound
| Compound ID |
CP0542856
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[N-(2-chloroethyl)-N-benzylethylenamine]}triazene
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| Structure |
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| Formula |
C25H25Cl2N7
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| Molecular Weight |
494.43
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| Canonical SMILES |
ClCCN(CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)Cc1ccccc1
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| InChI |
InChI=1S/C25H25Cl2N7/c26-11-13-34(17-19-5-2-1-3-6-19)14-12-30-33-32-22-9-10-24-23(16-22)25(29-18-28-24)31-21-8-4-7-20(27)15-21/h1-10,15-16,18H,11-14,17H2,(H,30,32)(H,28,29,31)
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| InChIKey |
VPYQQIHCRRKVJF-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