General Information of the Compound
| Compound ID |
CP0542115
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| Compound Name |
1-Benzenesulfonyl-3-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C26H24N2O2S
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| Molecular Weight |
428.557
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H24N2O2S/c29-31(30,23-11-5-2-6-12-23)28-20-25(24-13-7-8-14-26(24)28)22-15-17-27(18-16-22)19-21-9-3-1-4-10-21/h1-15,20H,16-19H2
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| InChIKey |
SRWMFYMQNVTDDC-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