General Information of the Compound
| Compound ID |
CP0478565
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-1H-1,2,4-triazole-5-carboxamide
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| Structure |
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| Formula |
C24H26ClN5O4S
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| Molecular Weight |
516.023
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)c1nc[nH]n1
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| InChI |
InChI=1S/C24H26ClN5O4S/c1-3-12-28-35(32,33)21-8-5-18(6-9-21)11-13-30(24(31)23-26-17-27-29-23)16-19-15-20(25)7-10-22(19)34-14-4-2/h1,5-10,15,17,28H,4,11-14,16H2,2H3,(H,26,27,29)
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| InChIKey |
HKPHKKLUFWSDKO-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