General Information of the Compound
| Compound ID |
CP0489269
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| Compound Name |
4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
COc1ccc(cc1)C1CCN(CC1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C27H32N4O2/c1-33-25-8-5-21(6-9-25)22-10-14-31(15-11-22)27(32)29-24-7-4-23-16-20(18-28-26(23)17-24)19-30-12-2-3-13-30/h4-9,16-18,22H,2-3,10-15,19H2,1H3,(H,29,32)
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| InChIKey |
OHSXHWRMAMCPHA-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