General Information of the Compound
| Compound ID |
CP0903386
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-[(3-(4-fluoro-phenyl)-propionylamino)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C26H26BrFN2O2
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| Molecular Weight |
497.408
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| Canonical SMILES |
O=C(CCc1ccc(F)cc1)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C26H26BrFN2O2/c27-17-4-8-19(9-5-17)30-25(32)24-20(21-10-11-22(24)26(21)13-14-26)15-29-23(31)12-3-16-1-6-18(28)7-2-16/h1-2,4-11,20-22,24H,3,12-15H2,(H,29,31)(H,30,32)/t20-,21-,22+,24+/m1/s1
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| InChIKey |
XSXIOFVHNGAEQN-SVPADUAOSA-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