General Information of the Compound
| Compound ID |
CP0259619
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| Compound Name |
N-[[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-2-yl]methyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1
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| InChI |
InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)
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| InChIKey |
QUNIRDORWCGMDO-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