General Information of the Compound
| Compound ID |
CP0859190
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-[(2-(2-chloro-phenyl)-acetylamino)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C25H24BrClN2O2
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| Molecular Weight |
499.836
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| Canonical SMILES |
O=C(Cc1ccccc1Cl)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/C25H24BrClN2O2/c26-16-5-7-17(8-6-16)29-24(31)23-18(19-9-10-20(23)25(19)11-12-25)14-28-22(30)13-15-3-1-2-4-21(15)27/h1-10,18-20,23H,11-14H2,(H,28,30)(H,29,31)/t18-,19-,20+,23+/m1/s1
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| InChIKey |
SJCDPFYLLWTMCD-UGTOYMOASA-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