General Information of the Compound
| Compound ID |
CP0425661
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| Compound Name |
2-(4-chlorophenoxy)-N-[4-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]quinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C26H31ClN6O3
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| Molecular Weight |
511.026
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| Canonical SMILES |
CC(C)NC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C26H31ClN6O3/c1-16(2)28-26(35)31-19-10-12-33(13-11-19)25-29-17(3)22-14-20(6-9-23(22)32-25)30-24(34)15-36-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,30,34)(H2,28,31,35)
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| InChIKey |
JUAIFEVEDGYHPP-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