General Information of the Compound
| Compound ID |
CP0421484
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| Compound Name |
3-(pentan-2-ylamino)-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C9H15N3O2
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| Molecular Weight |
197.238
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| Canonical SMILES |
CCCC(C)Nc1cc(n[nH]1)C(O)=O
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| InChI |
InChI=1S/C9H15N3O2/c1-3-4-6(2)10-8-5-7(9(13)14)11-12-8/h5-6H,3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
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| InChIKey |
JATOMRITRJKYLG-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