General Information of the Compound
| Compound ID |
CP0436378
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[N-(2-chloroethyl)-N-methylethylenamine]}triazene
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| Structure |
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| Formula |
C19H21Cl2N7
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| Molecular Weight |
418.332
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| Canonical SMILES |
CN(CCCl)CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C19H21Cl2N7/c1-28(9-7-20)10-8-24-27-26-16-5-6-18-17(12-16)19(23-13-22-18)25-15-4-2-3-14(21)11-15/h2-6,11-13H,7-10H2,1H3,(H,24,26)(H,22,23,25)
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| InChIKey |
DGNJMLWWGCSXDU-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