General Information of the Compound
| Compound ID |
CP0494755
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| Compound Name |
N-(4-butylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
CCCCc1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
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| InChI |
InChI=1S/C24H31N3O3S/c1-3-4-7-19-10-12-20(13-11-19)25-23(28)26-16-14-24(15-17-26)18-27(31(2,29)30)22-9-6-5-8-21(22)24/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,25,28)
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| InChIKey |
AFPGELQHFFQQQT-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