General Information of the Compound
| Compound ID |
CP0199095
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| Compound Name |
ethyl 1-[3-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazol-3-yl]propanoyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
CCOC(=O)C1CCN(CC1)C(=O)CCc1cc(-c2ccc(C)cc2)n(n1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C30H32N4O3/c1-3-37-30(36)24-16-18-33(19-17-24)29(35)15-13-25-20-27(23-10-8-21(2)9-11-23)34(32-25)28-14-12-22-6-4-5-7-26(22)31-28/h4-12,14,20,24H,3,13,15-19H2,1-2H3
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| InChIKey |
IVFLIKKKPPQPPN-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