General Information of the Compound
| Compound ID |
CP0474627
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| Compound Name |
2-(4-chlorophenoxy)-N-[4-methyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]quinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C26H30ClN5O3
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| Molecular Weight |
496.011
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| Canonical SMILES |
CC(C)CC(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C26H30ClN5O3/c1-17(2)14-25(34)31-10-12-32(13-11-31)26-28-18(3)22-15-20(6-9-23(22)30-26)29-24(33)16-35-21-7-4-19(27)5-8-21/h4-9,15,17H,10-14,16H2,1-3H3,(H,29,33)
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| InChIKey |
IKCPBWACRZGARJ-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