General Information of the Compound
| Compound ID |
CP0520193
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| Compound Name |
1-(2-chloroethyl)-3-{[4-(3-methylphenyl)amino]quinazolin-6-yl}urea
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| Structure |
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| Formula |
C18H18ClN5O
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| Molecular Weight |
355.829
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3ccc(NC(=O)NCCCl)cc23)c1
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| InChI |
InChI=1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23)
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| InChIKey |
ZXLPAHMADMWUCE-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