General Information of the Compound
| Compound ID |
CP0437694
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-methyl(1-methyl-imidazol-4-yl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C27H32Cl2N4O3S2
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| Molecular Weight |
595.618
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(C)cn1
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| InChI |
InChI=1S/C27H32Cl2N4O3S2/c1-31-17-26(30-19-31)38(35,36)32(2)16-21(20-7-8-23(28)24(29)15-20)9-12-33-13-10-27(11-14-33)18-37(34)25-6-4-3-5-22(25)27/h3-8,15,17,19,21H,9-14,16,18H2,1-2H3/t21-,37?/m1/s1
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| InChIKey |
WQOMNVLBWYNNQA-XFAQZLOPSA-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