General Information of the Compound
| Compound ID |
CP0480379
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| Compound Name |
3-[bis(cyclohexylmethyl)amino]-1H-pyrazole-5-carboxylic acid
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| Structure |
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| Formula |
C18H29N3O2
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| Molecular Weight |
319.449
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| Canonical SMILES |
OC(=O)c1cc([nH]n1)N(CC1CCCCC1)CC1CCCCC1
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| InChI |
InChI=1S/C18H29N3O2/c22-18(23)16-11-17(20-19-16)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h11,14-15H,1-10,12-13H2,(H,19,20)(H,22,23)
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| InChIKey |
WXGQJQOYLWEFQC-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