General Information of the Compound
| Compound ID |
CP0432590
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| Compound Name |
methyl N-[[3-[(4-benzylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C36H35N5O3
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| Molecular Weight |
585.708
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C36H35N5O3/c1-44-36(43)41(29-17-9-4-10-18-29)38-35(42)33-30-19-11-12-20-32(30)37-34(28-15-7-3-8-16-28)31(33)26-40-23-21-39(22-24-40)25-27-13-5-2-6-14-27/h2-20H,21-26H2,1H3,(H,38,42)
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| InChIKey |
ZVJASHFHEVGXKC-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