General Information of the Compound
| Compound ID |
CP0506734
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| Compound Name |
1-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-3-methyl-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 |
CNC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
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| InChI |
InChI=1S/C16H23N3O2/c1-9(2)15-19-13-6-4-5-11(14(13)21-15)12-7-10(12)8-18-16(20)17-3/h4-6,9-10,12,15,19H,7-8H2,1-3H3,(H2,17,18,20)/t10-,12+,15?/m0/s1
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| InChIKey |
LUMLPSQDBFEZGL-QFZKOWMDSA-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