General Information of the Compound
| Compound ID |
CP0562712
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| Compound Name |
N-[[5-tert-butyl-2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
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| Structure |
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| Formula |
C25H27ClFN3O
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| Molecular Weight |
439.962
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C25H27ClFN3O/c1-25(2,3)23-14-20(30(29-23)19-9-10-22(27)21(26)13-19)15-28-24(31)12-16-7-8-17-5-4-6-18(17)11-16/h7-11,13-14H,4-6,12,15H2,1-3H3,(H,28,31)
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| InChIKey |
KCKKNPNTXBGZLM-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