General Information of the Compound
| Compound ID |
CP0438188
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| Compound Name |
N-(1-adamantylmethyl)-5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C31H35ClN2O
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| Molecular Weight |
487.087
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| Canonical SMILES |
Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C31H35ClN2O/c1-20-3-5-22(6-4-20)17-34-18-27(13-29(34)26-7-8-28(32)21(2)9-26)30(35)33-19-31-14-23-10-24(15-31)12-25(11-23)16-31/h3-9,13,18,23-25H,10-12,14-17,19H2,1-2H3,(H,33,35)
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| InChIKey |
YNUCTIKDGMNEIK-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