General Information of the Compound
| Compound ID |
CP0394060
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| Compound Name |
methyl N-phenyl-N-[[2-phenyl-3-[[4-(thian-4-yl)piperazin-1-yl]methyl]quinoline-4-carbonyl]amino]carbamate
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| Structure |
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| Formula |
C34H37N5O3S
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| Molecular Weight |
595.769
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H37N5O3S/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40)
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| InChIKey |
GFLXRLDXOTTYEB-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