General Information of the Compound
| Compound ID |
CP0866057
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| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-((2-imidazolidin-2-on)-1-yl-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C22H27N5O4S
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| Molecular Weight |
457.556
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| Canonical SMILES |
CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCN3CCNC3=O)[C@H]3C=C[C@@H]2C32CC2)n1
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| InChI |
InChI=1S/C22H27N5O4S/c1-12(28)15-11-32-16(26-15)10-25-20(30)18-14-3-2-13(22(14)4-5-22)17(18)19(29)23-6-8-27-9-7-24-21(27)31/h2-3,11,13-14,17-18H,4-10H2,1H3,(H,23,29)(H,24,31)(H,25,30)/t13-,14+,17-,18-/m1/s1
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| InChIKey |
BFHKMHULOMZLOX-LTCOOKNTSA-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: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2