General Information of the Compound
| Compound ID |
CP0424255
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| Compound Name |
[2-[butyl-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]amino]-1,3-benzoxazol-5-yl]urea
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| Structure |
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| Formula |
C27H28N8O2
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| Molecular Weight |
496.575
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| Canonical SMILES |
CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(NC(N)=O)ccc2o1
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| InChI |
InChI=1S/C27H28N8O2/c1-3-4-15-35(27-30-23-16-20(29-26(28)36)13-14-24(23)37-27)17(2)18-9-11-19(12-10-18)21-7-5-6-8-22(21)25-31-33-34-32-25/h5-14,16-17H,3-4,15H2,1-2H3,(H3,28,29,36)(H,31,32,33,34)/t17-/m1/s1
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| InChIKey |
VIQGYPGUMPQHII-QGZVFWFLSA-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