General Information of the Compound
| Compound ID |
CP0869504
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(tetrahydro-2H-pyran-2-ylmethyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H26Cl2N4O4
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| Molecular Weight |
529.424
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2C=CC=CO2)CCO1
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| InChI |
InChI=1S/C26H26Cl2N4O4/c1-33-24-11-20-23(29-16-30-26(20)31-17-5-6-21(27)22(28)10-17)12-25(24)36-15-19-14-32(7-9-35-19)13-18-4-2-3-8-34-18/h2-6,8,10-12,16,18-19H,7,9,13-15H2,1H3,(H,29,30,31)
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| InChIKey |
ZVZBDOZLWZVVFT-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