General Information of the Compound
| Compound ID |
CP0380344
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| Compound Name |
3-[3-[[3-(2-benzamidoethylamino)phenyl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C31H32N4O5S
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| Molecular Weight |
572.687
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| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2)c1)-c1cccc(c1)C(=O)N(C)C
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| InChI |
InChI=1S/C31H32N4O5S/c1-35(2)31(37)25-12-7-11-23(19-25)24-15-16-28(40-3)29(20-24)41(38,39)34-27-14-8-13-26(21-27)32-17-18-33-30(36)22-9-5-4-6-10-22/h4-16,19-21,32,34H,17-18H2,1-3H3,(H,33,36)
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| InChIKey |
LWGIWXRRTKTHLG-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