General Information of the Compound
| Compound ID |
CP0877235
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-(4,5-dimethyl-1H-imidazol-2-yl)-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H27BrN4O2
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| Molecular Weight |
483.41
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| Canonical SMILES |
Cc1nc(CCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)[nH]c1C
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| InChI |
InChI=1S/C24H27BrN4O2/c1-13-14(2)28-19(27-13)9-12-26-22(30)20-17-7-8-18(24(17)10-11-24)21(20)23(31)29-16-5-3-15(25)4-6-16/h3-8,17-18,20-21H,9-12H2,1-2H3,(H,26,30)(H,27,28)(H,29,31)/t17-,18+,20-,21-/m1/s1
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| InChIKey |
GKKZDTJVSJYQAP-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