General Information of the Compound
| Compound ID |
CP0503995
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[N-(2-chloropropyl)-N-4-methoxyphenylethylenamine]} triazene
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| Structure |
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| Formula |
C26H27Cl2N7O
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| Molecular Weight |
524.456
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| Canonical SMILES |
COc1ccc(cc1)N(CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)CC(C)Cl
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| InChI |
InChI=1S/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32)
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| InChIKey |
OQMCTCBSARHFKL-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