General Information of the Compound
| Compound ID |
CP0485480
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| Compound Name |
1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R)-cyclopropylmethyl]-2-methylpropanamide
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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 |
CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C26H31NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,16,18,20,23H,6-7,11-12,15,17H2,1-2H3,(H,27,28)/t20-,23?/m0/s1
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| InChIKey |
AHGFMBBXRSYTSB-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