General Information of the Compound
| Compound ID |
CP0452271
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| Compound Name |
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
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| Structure |
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| Formula |
C28H26FN3O2
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| Molecular Weight |
455.533
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| Canonical SMILES |
COc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
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| InChI |
InChI=1S/C28H26FN3O2/c1-34-27-25(13-10-23-16-19(17-30-26(23)27)18-32-14-2-3-15-32)31-28(33)22-6-4-20(5-7-22)21-8-11-24(29)12-9-21/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)
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| InChIKey |
VQLSRZQYBLRCNJ-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