General Information of the Compound
| Compound ID |
CP0510899
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[N-(2-chloroethyl)-N-4-methoxyphenylethylenamine]} triazene
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| Structure |
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| Formula |
C25H25Cl2N7O
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| Molecular Weight |
510.429
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| Canonical SMILES |
COc1ccc(cc1)N(CCCl)CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C25H25Cl2N7O/c1-35-22-8-6-21(7-9-22)34(13-11-26)14-12-30-33-32-20-5-10-24-23(16-20)25(29-17-28-24)31-19-4-2-3-18(27)15-19/h2-10,15-17H,11-14H2,1H3,(H,30,32)(H,28,29,31)
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| InChIKey |
RHDJKVOUEVEVHF-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