General Information of the Compound
| Compound ID |
CP0550732
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C31H32ClN3O4S
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| Molecular Weight |
578.134
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C31H32ClN3O4S/c1-3-16-34-40(37,38)27-12-9-23(10-13-27)15-17-35(22-25-19-26(32)11-14-30(25)39-18-4-2)31(36)20-24-21-33-29-8-6-5-7-28(24)29/h1,5-14,19,21,33-34H,4,15-18,20,22H2,2H3
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| InChIKey |
GMVRDOUMVQZOBC-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