General Information of the Compound
| Compound ID |
CP0867716
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(5-methyl-3-phenyl-isoxazol-4-yl)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C28H26BrN3O3
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| Molecular Weight |
532.438
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| Canonical SMILES |
Cc1onc(-c2ccccc2)c1CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C28H26BrN3O3/c1-16-20(25(32-35-16)17-5-3-2-4-6-17)15-30-26(33)23-21-11-12-22(28(21)13-14-28)24(23)27(34)31-19-9-7-18(29)8-10-19/h2-12,21-24H,13-15H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1
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| InChIKey |
OMPGWJFYNJBTJZ-UEQSERJNSA-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