General Information of the Compound
| Compound ID |
CP0425655
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| Compound Name |
2-(4-chlorophenoxy)-N-[4-methyl-2-[4-(oxan-4-yl)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 |
Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCN(CC1)C1CCOCC1
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| InChI |
InChI=1S/C26H30ClN5O3/c1-18-23-16-20(29-25(33)17-35-22-5-2-19(27)3-6-22)4-7-24(23)30-26(28-18)32-12-10-31(11-13-32)21-8-14-34-15-9-21/h2-7,16,21H,8-15,17H2,1H3,(H,29,33)
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| InChIKey |
XGXJKBWNQUIOCN-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