General Information of the Compound
| Compound ID |
CP0391228
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| Compound Name |
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H22ClN3O2
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| Molecular Weight |
407.901
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| Canonical SMILES |
CC(C)NC(=O)c1cc(C)n(Cc2cc(Cl)cc3cc(oc23)-c2ccccc2)n1
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| InChI |
InChI=1S/C23H22ClN3O2/c1-14(2)25-23(28)20-9-15(3)27(26-20)13-18-11-19(24)10-17-12-21(29-22(17)18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,25,28)
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| InChIKey |
LMEXJTMBTIXEMV-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