General Information of the Compound
| Compound ID |
CP0480374
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| Compound Name |
3-[benzyl(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C16H15N3O2S
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| Molecular Weight |
313.382
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| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(Cc1ccsc1)Cc1ccccc1
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| InChI |
InChI=1S/C16H15N3O2S/c20-16(21)14-8-15(18-17-14)19(10-13-6-7-22-11-13)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,18)(H,20,21)
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| InChIKey |
JTKZTOCSVOLUPY-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: PT01282, Hydroxycarboxylic acid receptor 2
Protein ID: PT02010, Hydroxycarboxylic acid receptor 3