General Information of the Compound
| Compound ID |
CP0543219
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| Compound Name |
N-[3-[1-[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyrazol-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H30F2N4O4
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| Molecular Weight |
596.634
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(OC(F)F)c(OCC3CC3)c2)n2ccc(n2)-c2cccc(NC(=O)c3ccccc3)c2)cc1
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| InChI |
InChI=1S/C34H30F2N4O4/c35-34(36)44-31-12-11-27(21-32(31)43-22-24-9-10-24)30(19-23-13-16-39(42)17-14-23)40-18-15-29(38-40)26-7-4-8-28(20-26)37-33(41)25-5-2-1-3-6-25/h1-8,11-18,20-21,24,30,34H,9-10,19,22H2,(H,37,41)
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| InChIKey |
HEGXYQLDVWSIOY-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