General Information of the Compound
| Compound ID |
CP0474552
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| Compound Name |
3-[bis(cyclopropylmethyl)amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C12H17N3O2
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| Molecular Weight |
235.287
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| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(CC1CC1)CC1CC1
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| InChI |
InChI=1S/C12H17N3O2/c16-12(17)10-5-11(14-13-10)15(6-8-1-2-8)7-9-3-4-9/h5,8-9H,1-4,6-7H2,(H,13,14)(H,16,17)
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| InChIKey |
CDDOJXWJDQIPGT-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