General Information of the Compound
| Compound ID |
CP0949189
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| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-(isobutyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
CC(=O)c1coc(CNC(=O)[C@H]2[C@H](C(=O)NCC(C)C)[C@H]3C=C[C@@H]2C32CC2)n1
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| InChI |
InChI=1S/C21H27N3O4/c1-11(2)8-22-19(26)17-13-4-5-14(21(13)6-7-21)18(17)20(27)23-9-16-24-15(10-28-16)12(3)25/h4-5,10-11,13-14,17-18H,6-9H2,1-3H3,(H,22,26)(H,23,27)/t13-,14+,17-,18-/m1/s1
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| InChIKey |
JPECDJOGSXCXAV-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