General Information of the Compound
| Compound ID |
CP0439346
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-[1H-5-indolyl(methyl)sulfonamido]-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C31H33Cl2N3O3S2
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| Molecular Weight |
630.663
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C31H33Cl2N3O3S2/c1-35(41(38,39)25-7-9-29-23(18-25)10-14-34-29)20-24(22-6-8-27(32)28(33)19-22)11-15-36-16-12-31(13-17-36)21-40(37)30-5-3-2-4-26(30)31/h2-10,14,18-19,24,34H,11-13,15-17,20-21H2,1H3/t24-,40?/m1/s1
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| InChIKey |
UQMQSJFZKTWCCK-MFWMSMGNSA-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