General Information of the Compound
| Compound ID |
CP0543926
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| Compound Name |
1'-[3-benzyloxy-2-(3,4-dichlorophenylsulfonamido)propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C23H29N3O4S
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| Molecular Weight |
443.569
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(N)COCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C23H29N3O4S/c1-31(28,29)26-17-23(19-9-5-6-10-21(19)26)11-13-25(14-12-23)22(27)20(24)16-30-15-18-7-3-2-4-8-18/h2-10,20H,11-17,24H2,1H3
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| InChIKey |
KYGJZARUWQDKNA-UHFFFAOYSA-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