General Information of the Compound
| Compound ID |
CP0394061
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| Compound Name |
methyl N-[[3-[1-(oxan-4-yl)piperidin-4-yl]oxy-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C34H36N4O5
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| Molecular Weight |
580.685
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C2CCOCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H36N4O5/c1-41-34(40)38(26-12-6-3-7-13-26)36-33(39)30-28-14-8-9-15-29(28)35-31(24-10-4-2-5-11-24)32(30)43-27-16-20-37(21-17-27)25-18-22-42-23-19-25/h2-15,25,27H,16-23H2,1H3,(H,36,39)
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| InChIKey |
SUZFCPKCWBVLKR-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