General Information of the Compound
| Compound ID |
CP0267013
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| Compound Name |
2-N-[(4-chlorophenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methoxyquinazoline-2,4-diamine
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| Formula |
C21H21ClN6O
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| Molecular Weight |
408.893
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| Canonical SMILES |
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3cccc(OC)c23)n[nH]1
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| InChI |
InChI=1S/C21H21ClN6O/c1-3-15-11-18(28-27-15)25-20-19-16(5-4-6-17(19)29-2)24-21(26-20)23-12-13-7-9-14(22)10-8-13/h4-11H,3,12H2,1-2H3,(H3,23,24,25,26,27,28)
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| InChIKey |
GHDFCDSHKKEZJV-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