General Information of the Compound
| Compound ID |
CP0485015
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| Compound Name |
3-(4-Methoxy-phenyl)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-propionamide
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
COc1ccc(CCC(=O)Nc2ccc3nc(cc(C)c3c2)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C25H30N4O2/c1-18-16-24(29-14-12-28(2)13-15-29)27-23-10-7-20(17-22(18)23)26-25(30)11-6-19-4-8-21(31-3)9-5-19/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,26,30)
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| InChIKey |
XTZCFKFJPJDDEZ-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