General Information of the Compound
| Compound ID |
CP0340557
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| Compound Name |
1-(2-chloroethyl)-1-nitroso-3-methyl-3-{[4-(3-methylphenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C19H19ClN6O2
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| Molecular Weight |
398.854
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| Canonical SMILES |
CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(C)c3)c2c1
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| InChI |
InChI=1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)
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| InChIKey |
NFRDLORGBPIOJT-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