General Information of the Compound
| Compound ID |
CP0404731
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| Compound Name |
3-[bis(3-methylbutyl)amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C14H25N3O2
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| Molecular Weight |
267.373
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| Canonical SMILES |
CC(C)CCN(CCC(C)C)c1cc(n[nH]1)C(O)=O
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| InChI |
InChI=1S/C14H25N3O2/c1-10(2)5-7-17(8-6-11(3)4)13-9-12(14(18)19)15-16-13/h9-11H,5-8H2,1-4H3,(H,15,16)(H,18,19)
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| InChIKey |
GPNCYCRENCHIDB-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