General Information of the Compound
| Compound ID |
CP0416199
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| Compound Name |
N-(1-adamantyl)-5-(4-hydroxyphenyl)-1-prop-2-enylindole-3-carboxamide
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| Structure |
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1
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| InChI |
InChI=1S/C28H30N2O2/c1-2-9-30-17-25(24-13-22(5-8-26(24)30)21-3-6-23(31)7-4-21)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,17-20,31H,1,9-12,14-16H2,(H,29,32)
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| InChIKey |
SLQDUXPNRLHRBC-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
Protein ID: PT00834, Cannabinoid receptor 2