General Information of the Compound
| Compound ID |
CP0503182
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| Compound Name |
2-[[[4-(3-chloroanilino)quinazolin-6-yl]amino]methyl]phenol
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| Structure |
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| Formula |
C21H17ClN4O
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| Molecular Weight |
376.847
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| Canonical SMILES |
Oc1ccccc1CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C21H17ClN4O/c22-15-5-3-6-17(10-15)26-21-18-11-16(8-9-19(18)24-13-25-21)23-12-14-4-1-2-7-20(14)27/h1-11,13,23,27H,12H2,(H,24,25,26)
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| InChIKey |
ICQAMXDCJTUNAQ-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