General Information of the Compound
| Compound ID |
CP0555741
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[2- (1-methylpiperidin-2-yl)-1,3-thiazol-4- yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H25Cl2N5O2S
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| Molecular Weight |
530.481
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1C
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| InChI |
InChI=1S/C25H25Cl2N5O2S/c1-32-8-4-3-5-21(32)25-31-16(13-35-25)12-34-23-11-20-17(10-22(23)33-2)24(29-14-28-20)30-15-6-7-18(26)19(27)9-15/h6-7,9-11,13-14,21H,3-5,8,12H2,1-2H3,(H,28,29,30)
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| InChIKey |
BQCYIIVLNTWNSU-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