General Information of the Compound
| Compound ID |
CP0574722
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4- (4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2- yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C29H25Cl2N5O2S
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| Molecular Weight |
578.525
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccc(cc1)N1CCCC1
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| InChI |
InChI=1S/C29H25Cl2N5O2S/c1-37-26-13-21-24(32-17-33-29(21)34-19-6-9-22(30)23(31)12-19)14-27(26)38-15-28-35-25(16-39-28)18-4-7-20(8-5-18)36-10-2-3-11-36/h4-9,12-14,16-17H,2-3,10-11,15H2,1H3,(H,32,33,34)
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| InChIKey |
LARWQCXRXJJFLU-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