General Information of the Compound
| Compound ID |
CP0421214
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| Compound Name |
methyl N-[[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate
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| Structure |
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| Formula |
C35H33N5O5S
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| Molecular Weight |
635.746
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H33N5O5S/c1-45-35(42)40(27-15-7-3-8-16-27)37-34(41)32-29-19-11-12-20-31(29)36-33(26-13-5-2-6-14-26)30(32)25-38-21-23-39(24-22-38)46(43,44)28-17-9-4-10-18-28/h2-20H,21-25H2,1H3,(H,37,41)
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| InChIKey |
CIOJAMZWKYLIDE-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