General Information of the Compound
| Compound ID |
CP0497651
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-methyl(2-thienyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C27H30Cl2N2O3S3
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| Molecular Weight |
597.655
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)26-7-4-16-35-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-36(32)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-,36?/m1/s1
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| InChIKey |
QTIDZFUSYXAXHM-XAEBCRAKSA-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