General Information of the Compound
| Compound ID |
CP0479597
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| Compound Name |
1-[[2-[butyl-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]amino]-1,3-benzoxazol-5-yl]methyl]-3-methylurea
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| Structure |
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| Formula |
C29H32N8O2
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| Molecular Weight |
524.629
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| Canonical SMILES |
CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(CNC(=O)NC)ccc2o1
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| InChI |
InChI=1S/C29H32N8O2/c1-4-5-16-37(29-32-25-17-20(10-15-26(25)39-29)18-31-28(38)30-3)19(2)21-11-13-22(14-12-21)23-8-6-7-9-24(23)27-33-35-36-34-27/h6-15,17,19H,4-5,16,18H2,1-3H3,(H2,30,31,38)(H,33,34,35,36)/t19-/m1/s1
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| InChIKey |
KFWLXBQVZWESCT-LJQANCHMSA-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: PT03813, Chemerin-like receptor 1
Protein ID: PT06934, Chemerin-like receptor 1