General Information of the Compound
| Compound ID |
CP0190701
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| Compound Name |
3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C18H17Cl2N5O
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| Molecular Weight |
390.274
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| Canonical SMILES |
CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)
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| InChIKey |
ZCKFRMIUXBQEAX-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