General Information of the Compound
| Compound ID |
CP0475627
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| Compound Name |
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H27ClN4O2
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| Molecular Weight |
414.937
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| Canonical SMILES |
CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(=O)NC3CCNCC3)c2o1
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| InChI |
InChI=1S/C22H27ClN4O2/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-27-14(3)8-19(26-27)22(28)25-18-4-6-24-7-5-18/h8-11,13,18,24H,4-7,12H2,1-3H3,(H,25,28)
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| InChIKey |
IZEMWQORPQBUOS-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