General Information of the Compound
| Compound ID |
CP0427325
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| Compound Name |
1'-[3-benzyloxy-2-(3,4-dichlorophenylcarboxamido)propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C31H33Cl2N3O5S
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| Molecular Weight |
630.594
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NC(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C31H33Cl2N3O5S/c1-42(39,40)36-21-31(24-9-5-6-10-28(24)36)13-15-35(16-14-31)30(38)27(20-41-19-22-7-3-2-4-8-22)34-29(37)18-23-11-12-25(32)26(33)17-23/h2-12,17,27H,13-16,18-21H2,1H3,(H,34,37)
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| InChIKey |
XEQQNCSLMZZLIP-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