General Information of the Compound
| Compound ID |
CP0507925
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| Compound Name |
4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H21ClN4O
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| Molecular Weight |
332.835
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| Canonical SMILES |
Cn1cc(c(n1)C(=O)NCC1CCNCC1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C17H21ClN4O/c1-22-11-15(13-3-2-4-14(18)9-13)16(21-22)17(23)20-10-12-5-7-19-8-6-12/h2-4,9,11-12,19H,5-8,10H2,1H3,(H,20,23)
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| InChIKey |
MFZWEBMQYPNXGC-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