General Information of the Compound
| Compound ID |
CP0401668
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-ethyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C30H34Cl2N2O2S2
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| Molecular Weight |
589.654
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| Canonical SMILES |
CCN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H34Cl2N2O2S2/c1-2-34(38(35,36)25-8-4-3-5-9-25)21-24(23-12-13-27(31)28(32)20-23)14-17-33-18-15-30(16-19-33)22-37-29-11-7-6-10-26(29)30/h3-13,20,24H,2,14-19,21-22H2,1H3/t24-/m1/s1
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| InChIKey |
QRKZYCYHPYJAHM-XMMPIXPASA-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