General Information of the Compound
| Compound ID |
CP0295734
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| Compound Name |
4-[({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C23H16ClN5O4
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| Molecular Weight |
461.865
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| Canonical SMILES |
COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCc1ccnc(c1)C#N
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| InChI |
InChI=1S/C23H16ClN5O4/c1-30-19-7-15-17(8-20(19)31-10-13-4-5-26-14(6-13)9-25)27-11-28-23(15)29-21-16(24)2-3-18-22(21)33-12-32-18/h2-8,11H,10,12H2,1H3,(H,27,28,29)
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| InChIKey |
DLSRIJJGQIAZHW-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