General Information of the Compound
| Compound ID |
CP0098466
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| Compound Name |
(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(1-methyl-5-sulfamoylpyrazol-4-yl)cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H26N6O4S
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| Molecular Weight |
470.555
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| Canonical SMILES |
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O
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| InChI |
InChI=1S/C22H26N6O4S/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)20(29)16-5-3-4-6-17(16)21(30)25-19-12-24-28(2)22(19)33(23,31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H2,23,31,32)/t16-,17-/m1/s1
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| InChIKey |
IVYACETTWFJKQK-IAGOWNOFSA-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: PT01683, Arachidonate 5-lipoxygenase-activating protein
Protein ID: PT03218, ATP-binding cassette sub-family C member 2
Protein ID: PT04542, Bile salt export pump
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 250000 nM
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TI
LI
LO
TS
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