General Information of the Compound
Compound ID |
CP0429022
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Compound Name |
N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
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Structure |
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Formula |
C27H26N4O2
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Molecular Weight |
438.531
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Canonical SMILES |
O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccc(Cn2cccc2)c2ccccc12
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InChI |
InChI=1S/C27H26N4O2/c32-26(30-24-11-6-14-28-25(24)27(33)29-17-19-7-5-8-19)23-13-12-20(18-31-15-3-4-16-31)21-9-1-2-10-22(21)23/h1-4,6,9-16,19H,5,7-8,17-18H2,(H,29,33)(H,30,32)
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InChIKey |
MXHPCVFJFJSCMB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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