General Information of the Compound
| Compound ID |
CP0505062
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| Compound Name |
benzyl 2-[2-(4-methylphenyl)ethyl]-5-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
Cc1ccc(CCC2CCC(CNC(=O)c3cn[nH]c3)CN2C(=O)OCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H32N4O3/c1-20-7-9-21(10-8-20)11-13-25-14-12-23(15-28-26(32)24-16-29-30-17-24)18-31(25)27(33)34-19-22-5-3-2-4-6-22/h2-10,16-17,23,25H,11-15,18-19H2,1H3,(H,28,32)(H,29,30)
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| InChIKey |
VZDIBVCUMMBYGQ-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