General Information of the Compound
| Compound ID |
CP0511162
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| Compound Name |
N-[[1-[[4-(benzylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C29H32N4O3S
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| Molecular Weight |
516.667
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| Canonical SMILES |
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C29H32N4O3S/c34-29(27-19-30-28-9-5-4-8-26(27)28)31-18-22-14-16-33(17-15-22)20-23-10-12-25(13-11-23)32-37(35,36)21-24-6-2-1-3-7-24/h1-13,19,22,30,32H,14-18,20-21H2,(H,31,34)
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| InChIKey |
VVFFPDSUQFEWIR-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