General Information of the Compound
| Compound ID |
CP0381800
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| Compound Name |
methyl N-[[3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C35H38N4O4
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| Molecular Weight |
578.713
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H38N4O4/c1-42-35(41)39(28-12-6-3-7-13-28)37-34(40)32-29-14-8-9-15-31(29)36-33(26-10-4-2-5-11-26)30(32)24-25-16-20-38(21-17-25)27-18-22-43-23-19-27/h2-15,25,27H,16-24H2,1H3,(H,37,40)
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| InChIKey |
XCHBXYOIQFUWBY-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