General Information of the Compound
| Compound ID |
CP0503940
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| Compound Name |
1-(2-Chloroethyl)-1-nitroso-3-{[4-(3-methylphenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C18H17ClN6O2
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| Molecular Weight |
384.827
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3ccc(NC(=O)N(CCCl)N=O)cc23)c1
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| InChI |
InChI=1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22)
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| InChIKey |
ONOZVTJDHKAIOL-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