General Information of the Compound
| Compound ID |
CP0467599
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| Compound Name |
1-Cyclopropyl-3-[(R)-1-(2,3-dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-urea
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| Structure |
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| Formula |
C16H21N3O2
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| Molecular Weight |
287.363
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| Canonical SMILES |
O=C(NC1CC1)N[C@@H]1CCN(C1)c1cccc2OCCc12
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| InChI |
InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m1/s1
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| InChIKey |
YYBSJXRHPDSHKX-GFCCVEGCSA-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