General Information of the Compound
| Compound ID |
CP0396843
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| Compound Name |
(E)-2-(benzenesulfonyl)-3-[1-(2-morpholin-4-ylethyl)indol-3-yl]prop-2-enenitrile
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
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| InChI |
InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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| InChIKey |
SRTMLRVZSLOOCF-LTGZKZEYSA-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
Protein ID: PT00834, Cannabinoid receptor 2