General Information of the Compound
| Compound ID |
CP0439411
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| Compound Name |
methyl N-[[8-fluoro-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C29H28FN5O3
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| Molecular Weight |
513.573
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H28FN5O3/c1-38-29(37)35(21-11-6-3-7-12-21)33-28(36)25-22-13-8-14-24(30)27(22)32-26(20-9-4-2-5-10-20)23(25)19-34-17-15-31-16-18-34/h2-14,31H,15-19H2,1H3,(H,33,36)
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| InChIKey |
OXGFBXMELSULAL-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