General Information of the Compound
| Compound ID |
CP0404396
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| Compound Name |
3-ethyl-5-isothiocyanato-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H28N4OS
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| Molecular Weight |
432.593
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| Canonical SMILES |
CCc1c([nH]c2ccc(cc12)N=C=S)C(=O)NCCc1ccc(cc1)N1CCCCC1
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| InChI |
InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30)
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| InChIKey |
YIYLMDVRSNXYOT-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
Protein ID: PT01298, Cannabinoid receptor 1