General Information of the Compound
| Compound ID |
CP0498860
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| Compound Name |
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
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| InChI |
InChI=1S/C25H28N2O2/c28-25(18-13-14-18)26-16-19-15-21(19)20-10-6-11-22-24(20)29-23(27-22)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19,21H,4-5,9,12-16H2,(H,26,28)/t19-,21+/m0/s1
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| InChIKey |
UROBQRKWWWYDEL-PZJWPPBQSA-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