General Information of the Compound
| Compound ID |
CP0514781
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| Compound Name |
N-(1-adamantyl)-2-[5-(furan-2-yl)-1-pentylindol-3-yl]acetamide
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| Structure |
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| Formula |
C29H36N2O2
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| Molecular Weight |
444.619
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| Canonical SMILES |
CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1
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| InChI |
InChI=1S/C29H36N2O2/c1-2-3-4-9-31-19-24(25-14-23(7-8-26(25)31)27-6-5-10-33-27)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h5-8,10,14,19-22H,2-4,9,11-13,15-18H2,1H3,(H,30,32)
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| InChIKey |
XTCGEWLVNDEZQH-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