General Information of the Compound
| Compound ID |
CP0484546
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| Compound Name |
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H19ClF3N3O3
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| Molecular Weight |
477.87
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NCC(O)C(F)(F)F
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| InChI |
InChI=1S/C23H19ClF3N3O3/c1-13-7-18(22(32)28-11-20(31)23(25,26)27)29-30(13)12-16-9-17(24)8-15-10-19(33-21(15)16)14-5-3-2-4-6-14/h2-10,20,31H,11-12H2,1H3,(H,28,32)
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| InChIKey |
QZXMILKHDOAGSI-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