General Information of the Compound
| Compound ID |
CP0401724
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| Compound Name |
methyl 5-[3-(4-methoxybenzoyl)-1-(oxan-4-ylmethyl)indol-7-yl]oxypentanoate
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| Structure |
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| Formula |
C28H33NO6
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| Molecular Weight |
479.573
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| Canonical SMILES |
COC(=O)CCCCOc1cccc2c(cn(CC3CCOCC3)c12)C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H33NO6/c1-32-22-11-9-21(10-12-22)28(31)24-19-29(18-20-13-16-34-17-14-20)27-23(24)6-5-7-25(27)35-15-4-3-8-26(30)33-2/h5-7,9-12,19-20H,3-4,8,13-18H2,1-2H3
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| InChIKey |
OLTLDMBUAZEVQX-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