General Information of the Compound
| Compound ID |
CP0425825
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| Compound Name |
1-Ethyl-3-[(1R,2R)-2-(2-ethyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-urea
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| Structure |
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| Formula |
C16H23N3O2
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| Molecular Weight |
289.379
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| Canonical SMILES |
CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CC)Oc12
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| InChI |
InChI=1S/C16H23N3O2/c1-3-14-19-13-7-5-6-11(15(13)21-14)12-8-10(12)9-18-16(20)17-4-2/h5-7,10,12,14,19H,3-4,8-9H2,1-2H3,(H2,17,18,20)/t10-,12+,14?/m0/s1
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| InChIKey |
HOVPRNGLKDSXLM-QXQDIAAESA-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