General Information of the Compound
| Compound ID |
CP0550722
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| Compound Name |
4-(4-methylphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
Cc1ccc(cc1)C1CCN(CC1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C27H32N4O/c1-20-4-6-22(7-5-20)23-10-14-31(15-11-23)27(32)29-25-9-8-24-16-21(18-28-26(24)17-25)19-30-12-2-3-13-30/h4-9,16-18,23H,2-3,10-15,19H2,1H3,(H,29,32)
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| InChIKey |
QJMPLSWRBDLBFO-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