General Information of the Compound
| Compound ID |
CP0513357
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| Compound Name |
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C20H16ClN3O2
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| Molecular Weight |
365.82
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)
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| InChIKey |
DXRJIOGOJQYDLW-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