General Information of the Compound
| Compound ID |
CP0441791
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| Compound Name |
methyl N-[[3-[(4-methylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C30H31N5O3
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| Molecular Weight |
509.61
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H31N5O3/c1-33-17-19-34(20-18-33)21-25-27(29(36)32-35(30(37)38-2)23-13-7-4-8-14-23)24-15-9-10-16-26(24)31-28(25)22-11-5-3-6-12-22/h3-16H,17-21H2,1-2H3,(H,32,36)
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| InChIKey |
YSDZQWRVRDWYHN-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