General Information of the Compound
| Compound ID |
CP0423538
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| Compound Name |
6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C27H26N4O2/c1-33-24-9-5-20(6-10-24)25-11-7-22(17-29-25)27(32)30-23-8-4-21-14-19(16-28-26(21)15-23)18-31-12-2-3-13-31/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,30,32)
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| InChIKey |
LJHAUTDPLVTWDD-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