General Information of the Compound
| Compound ID |
CP0535682
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C28H30Cl2N2O3S2
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| Molecular Weight |
577.599
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| Canonical SMILES |
Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)CNS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H30Cl2N2O3S2/c29-25-11-10-21(18-26(25)30)22(19-31-37(34,35)23-6-2-1-3-7-23)12-15-32-16-13-28(14-17-32)20-36(33)27-9-5-4-8-24(27)28/h1-11,18,22,31H,12-17,19-20H2/t22-,36?/m1/s1
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| InChIKey |
HIMMHTUVMHCSMF-FKZKSYQESA-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