General Information of the Compound
| Compound ID |
CP0455094
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| Compound Name |
1-(2-chloroethyl)-3-{[4-(3-bromophenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C17H15BrClN5O
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| Molecular Weight |
420.698
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| Canonical SMILES |
ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C17H15BrClN5O/c18-11-2-1-3-12(8-11)23-16-14-9-13(24-17(25)20-7-6-19)4-5-15(14)21-10-22-16/h1-5,8-10H,6-7H2,(H2,20,24,25)(H,21,22,23)
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| InChIKey |
MBAKBFMFUHKHAN-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