General Information of the Compound
| Compound ID |
CP0381798
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| Compound Name |
methyl N-[[8-fluoro-3-[[4-(1-methylcyclohexyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C36H40FN5O3
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| Molecular Weight |
609.746
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2(C)CCCCC2)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H40FN5O3/c1-36(19-10-5-11-20-36)41-23-21-40(22-24-41)25-29-31(34(43)39-42(35(44)45-2)27-15-8-4-9-16-27)28-17-12-18-30(37)33(28)38-32(29)26-13-6-3-7-14-26/h3-4,6-9,12-18H,5,10-11,19-25H2,1-2H3,(H,39,43)
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| InChIKey |
HGPRBKFRPZDYRT-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