General Information of the Compound
| Compound ID |
CP0410798
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| Compound Name |
2-(4-chlorophenoxy)-N-[4-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]quinazolin-6-yl]acetamide
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| Structure |
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| Formula |
C25H28ClN5O3
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| Molecular Weight |
481.984
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| Canonical SMILES |
CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C25H28ClN5O3/c1-16(2)24(33)30-10-12-31(13-11-30)25-27-17(3)21-14-19(6-9-22(21)29-25)28-23(32)15-34-20-7-4-18(26)5-8-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,32)
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| InChIKey |
RTXBYXZOKLASPV-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