General Information of the Compound
| Compound ID |
CP0449411
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| Compound Name |
N-[(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]butanamide
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| Structure |
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| Formula |
C21H25NO2
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| Molecular Weight |
323.436
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| Canonical SMILES |
CCCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12
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| InChI |
InChI=1S/C21H25NO2/c1-3-6-21(23)22-14-18-12-16-8-5-4-7-15(16)11-17-9-10-19(24-2)13-20(17)18/h4-5,7-10,13,18H,3,6,11-12,14H2,1-2H3,(H,22,23)
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| InChIKey |
RJOKIMKAWKJMMB-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B