General Information of the Compound
| Compound ID |
CP0343594
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| Compound Name |
1-(2-chloroethyl)-1-nitroso-3-{[4-(3-bromophenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C17H14BrClN6O2
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| Molecular Weight |
449.696
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| Canonical SMILES |
ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C17H14BrClN6O2/c18-11-2-1-3-12(8-11)22-16-14-9-13(4-5-15(14)20-10-21-16)23-17(26)25(24-27)7-6-19/h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)
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| InChIKey |
XHZBOSUWEVHTOZ-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