General Information of the Compound
| Compound ID |
CP0405201
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| Compound Name |
1-Ethyl-3-[(1R,2R)-2-(2-propyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-urea
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| Structure |
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| Formula |
C17H25N3O2
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| Molecular Weight |
303.406
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| Canonical SMILES |
CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)NCC)c2O1
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| InChI |
InChI=1S/C17H25N3O2/c1-3-6-15-20-14-8-5-7-12(16(14)22-15)13-9-11(13)10-19-17(21)18-4-2/h5,7-8,11,13,15,20H,3-4,6,9-10H2,1-2H3,(H2,18,19,21)/t11-,13+,15?/m0/s1
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| InChIKey |
NCFYKPGNBKODNZ-OZDYYWIQSA-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