General Information of the Compound
| Compound ID |
CP0388289
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| Compound Name |
2-chloro-N-[[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]carbamoyl]-5-pyrazol-1-ylbenzamide
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| Structure |
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| Formula |
C24H23ClN6O4S2
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| Molecular Weight |
559.073
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| Canonical SMILES |
CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1
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| InChI |
InChI=1S/C24H23ClN6O4S2/c1-30-11-7-16(8-12-30)37(34,35)17-4-6-20-21(14-17)36-24(27-20)29-23(33)28-22(32)18-13-15(3-5-19(18)25)31-10-2-9-26-31/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H2,27,28,29,32,33)
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| InChIKey |
LWQMVQKPXBEQRF-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04871, Hydroxycarboxylic acid receptor 1