General Information of the Compound
| Compound ID |
CP0934294
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| Compound Name |
(5R*)-N5-(4-tert-Butyl-thiazol-2-yl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H38N4O2S
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| Molecular Weight |
470.683
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| Canonical SMILES |
CC(C)(C)c1csc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1
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| InChI |
InChI=1S/C26H38N4O2S/c1-25(2,3)19-16-33-24(28-19)29-23(32)21-18-9-8-17(26(18)10-11-26)20(21)22(31)27-12-4-5-13-30-14-6-7-15-30/h8-9,16-18,20-21H,4-7,10-15H2,1-3H3,(H,27,31)(H,28,29,32)/t17-,18+,20-,21-/m1/s1
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| InChIKey |
RFFBYOBLYAPUQW-KOUHRCEDSA-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