General Information of the Compound
| Compound ID |
CP0134010
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| Compound Name |
[4-(heptylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
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| Structure |
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| Formula |
C29H31NO3
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| Molecular Weight |
441.571
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| Canonical SMILES |
CCCCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H31NO3/c1-3-4-5-6-9-20-30-23-16-12-21(13-17-23)28(31)27-25-10-7-8-11-26(25)33-29(27)22-14-18-24(32-2)19-15-22/h7-8,10-19,30H,3-6,9,20H2,1-2H3
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| InChIKey |
HSDFKLVQDCDZNY-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