General Information of the Compound
| Compound ID |
CP0514158
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| Compound Name |
1-(2,3,3a,7a-tetrahydro-1-benzofuran-5-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
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| Structure |
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| Formula |
C24H31N3O4S
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| Molecular Weight |
457.596
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| Canonical SMILES |
CN(C1CCN(C)CC1)C(=O)C1CN(c2ccccc12)S(=O)(=O)C1=CC2CCOC2C=C1
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| InChI |
InChI=1S/C24H31N3O4S/c1-25-12-9-18(10-13-25)26(2)24(28)21-16-27(22-6-4-3-5-20(21)22)32(29,30)19-7-8-23-17(15-19)11-14-31-23/h3-8,15,17-18,21,23H,9-14,16H2,1-2H3
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| InChIKey |
PTMJIKPPEHPYSH-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