General Information of the Compound
| Compound ID |
CP0441792
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| Compound Name |
methyl N-[[8-fluoro-3-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C34H36FN5O4
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| Molecular Weight |
597.691
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCOCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H36FN5O4/c1-43-34(42)40(26-11-6-3-7-12-26)37-33(41)30-27-13-8-14-29(35)32(27)36-31(24-9-4-2-5-10-24)28(30)23-38-17-19-39(20-18-38)25-15-21-44-22-16-25/h2-14,25H,15-23H2,1H3,(H,37,41)
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| InChIKey |
OPNWBWOUADKLSR-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
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2