General Information of the Compound
| Compound ID |
CP0408363
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| Compound Name |
methyl N-[[3-(1-tert-butylpiperidin-4-yl)oxy-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C33H36N4O4
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| Molecular Weight |
552.675
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(OC2CCN(CC2)C(C)(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H36N4O4/c1-33(2,3)36-21-19-25(20-22-36)41-30-28(31(38)35-37(32(39)40-4)24-15-9-6-10-16-24)26-17-11-12-18-27(26)34-29(30)23-13-7-5-8-14-23/h5-18,25H,19-22H2,1-4H3,(H,35,38)
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| InChIKey |
WVUQXKZYKKWCCM-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