General Information of the Compound
| Compound ID |
CP0497067
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| Compound Name |
1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R)-cyclopropylmethyl]butanamide
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| Structure |
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| Formula |
C26H31NO2
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| Molecular Weight |
389.539
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| Canonical SMILES |
CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C26H31NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1
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| InChIKey |
XLDHSNMKYVDXAR-AJZOCDQUSA-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