General Information of the Compound
| Compound ID |
CP0867112
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[(5-phenyl-isoxazole-4-carbonyl)-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C27H24BrN3O3
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| Molecular Weight |
518.411
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| Canonical SMILES |
O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1
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| InChI |
InChI=1S/C27H24BrN3O3/c28-17-6-8-18(9-7-17)31-26(33)23-19(21-10-11-22(23)27(21)12-13-27)14-29-25(32)20-15-30-34-24(20)16-4-2-1-3-5-16/h1-11,15,19,21-23H,12-14H2,(H,29,32)(H,31,33)/t19-,21-,22+,23+/m1/s1
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| InChIKey |
RUCIVYSWYJLCBO-LGKPFJOYSA-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