General Information of the Compound
| Compound ID |
CP0432377
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| Compound Name |
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H24ClN3O3
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| Molecular Weight |
449.938
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC[C@H]1CCCO1
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| InChI |
InChI=1S/C25H24ClN3O3/c1-16-10-22(25(30)27-14-21-8-5-9-31-21)28-29(16)15-19-12-20(26)11-18-13-23(32-24(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13,21H,5,8-9,14-15H2,1H3,(H,27,30)/t21-/m1/s1
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| InChIKey |
FRTJCWOASKNPLV-OAQYLSRUSA-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