General Information of the Compound
| Compound ID |
CP0542855
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[N-(2-chloroethyl)-N-4-chlorophenylethylenamine]} triazene
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| Structure |
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| Formula |
C24H22Cl3N7
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| Molecular Weight |
514.848
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| Canonical SMILES |
ClCCN(CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H22Cl3N7/c25-10-12-34(21-7-4-17(26)5-8-21)13-11-30-33-32-20-6-9-23-22(15-20)24(29-16-28-23)31-19-3-1-2-18(27)14-19/h1-9,14-16H,10-13H2,(H,30,32)(H,28,29,31)
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| InChIKey |
KFZQAVCLGQSQOZ-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