General Information of the Compound
| Compound ID |
CP0524890
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| Compound Name |
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H27ClN4O2
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| Molecular Weight |
450.97
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| Canonical SMILES |
CNCc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)cc4cc(oc34)C(C)C)n2)cc1
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| InChI |
InChI=1S/C25H27ClN4O2/c1-15(2)23-12-18-10-20(26)11-19(24(18)32-23)14-30-16(3)9-22(29-30)25(31)28-21-7-5-17(6-8-21)13-27-4/h5-12,15,27H,13-14H2,1-4H3,(H,28,31)
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| InChIKey |
XDMJIJUZTBXYQQ-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