General Information of the Compound
| Compound ID |
CP0505741
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| Compound Name |
3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C14H13N3O3S
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| Molecular Weight |
303.343
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| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(Cc1ccsc1)Cc1ccco1
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| InChI |
InChI=1S/C14H13N3O3S/c18-14(19)12-6-13(16-15-12)17(7-10-3-5-21-9-10)8-11-2-1-4-20-11/h1-6,9H,7-8H2,(H,15,16)(H,18,19)
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| InChIKey |
GARCZYVSFNZCAR-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