General Information of the Compound
| Compound ID |
CP0252210
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| Compound Name |
propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C24H24ClN3O3
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| Molecular Weight |
437.927
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| Canonical SMILES |
CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3
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| InChIKey |
KSURKAFQFJOCBC-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