General Information of the Compound
| Compound ID |
CP0388195
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| Compound Name |
5-Chloro-N-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)-butyl]-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C36H42ClN5O5S3
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| Molecular Weight |
756.416
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)N(CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
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| InChI |
InChI=1S/C36H42ClN5O5S3/c1-25-30-23-26(37)13-16-34(30)48-36(25)50(45,46)42(27-14-15-33(47-4)32(24-27)41-21-18-38-19-22-41)20-6-5-17-39-49(43,44)35-12-8-9-28-29(35)10-7-11-31(28)40(2)3/h7-16,23-24,38-39H,5-6,17-22H2,1-4H3
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| InChIKey |
YHQCPXJAOFTJEJ-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