General Information of the Compound
| Compound ID |
CP0465078
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| Compound Name |
N-(3,4-dichlorophenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C20H21Cl2N3O3S
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| Molecular Weight |
454.379
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C20H21Cl2N3O3S/c1-29(27,28)25-13-20(15-4-2-3-5-18(15)25)8-10-24(11-9-20)19(26)23-14-6-7-16(21)17(22)12-14/h2-7,12H,8-11,13H2,1H3,(H,23,26)
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| InChIKey |
QPRZIOLHQZYFHB-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