General Information of the Compound
| Compound ID |
CP0487486
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| Compound Name |
5-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-prop-2-ynyl-1,3,4-oxadiazol-2-one
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| Formula |
C16H13N3O3
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| Molecular Weight |
295.298
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| Canonical SMILES |
COc1ccc2[nH]cc(\C=C\c3nn(CC#C)c(=O)o3)c2c1
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| InChI |
InChI=1S/C16H13N3O3/c1-3-8-19-16(20)22-15(18-19)7-4-11-10-17-14-6-5-12(21-2)9-13(11)14/h1,4-7,9-10,17H,8H2,2H3/b7-4+
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| InChIKey |
FMLVPVUAWFQXKW-QPJJXVBHSA-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