General Information of the Compound
| Compound ID |
CP0400867
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| Compound Name |
N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-4-fluoropiperidine-4-carboxamide
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| Structure |
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| Formula |
C25H24ClFN4O2
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| Molecular Weight |
466.944
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| Canonical SMILES |
Cc1cc(NC(=O)C2(F)CCNCC2)nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1
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| InChI |
InChI=1S/C25H24ClFN4O2/c1-16-11-22(29-24(32)25(27)7-9-28-10-8-25)30-31(16)15-19-13-20(26)12-18-14-21(33-23(18)19)17-5-3-2-4-6-17/h2-6,11-14,28H,7-10,15H2,1H3,(H,29,30,32)
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| InChIKey |
CHKLYDMBZHQUTM-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