General Information of the Compound
| Compound ID |
CP0381796
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| Compound Name |
methyl N-[[3-[2-(dimethylamino)ethoxy]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C28H28N4O4
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| Molecular Weight |
484.556
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H28N4O4/c1-31(2)18-19-36-26-24(27(33)30-32(28(34)35-3)21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-25(26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,30,33)
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| InChIKey |
XCCMZNKLKPVPJT-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