General Information of the Compound
| Compound ID |
CP0523280
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| Compound Name |
1N-benzyl-1N-methyl-2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butan-1-amine
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| Structure |
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| Formula |
C30H34Cl2N2O2S
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| Molecular Weight |
557.587
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
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| InChI |
InChI=1S/C30H34Cl2N2O2S/c1-33(20-23-7-3-2-4-8-23)21-25(24-11-12-27(31)28(32)19-24)13-16-34-17-14-30(15-18-34)22-37(35,36)29-10-6-5-9-26(29)30/h2-12,19,25H,13-18,20-22H2,1H3/t25-/m1/s1
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| InChIKey |
GUOKNTMJTLPMSI-RUZDIDTESA-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