General Information of the Compound
| Compound ID |
CP0492642
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| Compound Name |
N-[[(1R,2R)-2-[2-(4-phenylbutyl)-2,3-dihydro-1,3-benzoxazol-7-yl]cyclopropyl]methyl]butanamide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
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| InChI |
InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1
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| InChIKey |
VKTMPSYAAVEMEO-WXFOFVMLSA-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