General Information of the Compound
| Compound ID |
CP0424256
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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]-1-methylurea
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| Structure |
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| Formula |
C28H30N8O2
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| Molecular Weight |
510.602
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| Canonical SMILES |
CCCCN([C@H](C)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc2cc(ccc2o1)N(C)C(N)=O
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| InChI |
InChI=1S/C28H30N8O2/c1-4-5-16-36(28-30-24-17-21(35(3)27(29)37)14-15-25(24)38-28)18(2)19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-31-33-34-32-26/h6-15,17-18H,4-5,16H2,1-3H3,(H2,29,37)(H,31,32,33,34)/t18-/m1/s1
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| InChIKey |
PQDABFVMDQAERW-GOSISDBHSA-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: PT06934, Chemerin-like receptor 1
Protein ID: PT03813, Chemerin-like receptor 1