General Information of the Compound
| Compound ID |
CP0453580
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| Compound Name |
methyl N-[[3-[(4-acetylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C31H31N5O4
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| Molecular Weight |
537.62
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H31N5O4/c1-22(37)35-19-17-34(18-20-35)21-26-28(30(38)33-36(31(39)40-2)24-13-7-4-8-14-24)25-15-9-10-16-27(25)32-29(26)23-11-5-3-6-12-23/h3-16H,17-21H2,1-2H3,(H,33,38)
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| InChIKey |
DGVWICFSPMABCW-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