General Information of the Compound
| Compound ID |
CP0505555
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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 |
C29H31Cl2N3O6S2
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| Molecular Weight |
652.622
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C29H31Cl2N3O6S2/c1-41(36,37)34-20-29(23-9-5-6-10-27(23)34)13-15-33(16-14-29)28(35)26(19-40-18-21-7-3-2-4-8-21)32-42(38,39)22-11-12-24(30)25(31)17-22/h2-12,17,26,32H,13-16,18-20H2,1H3
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| InChIKey |
LMBAHIQQWBYSQP-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