General Information of the Compound
| Compound ID |
CP0859934
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-[(2-(2,5-dimethyl-thiazol-4-yl)-acetylamino)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C24H26BrN3O2S
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| Molecular Weight |
500.462
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| Canonical SMILES |
Cc1nc(CC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)c(C)s1
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| InChI |
InChI=1S/C24H26BrN3O2S/c1-13-20(27-14(2)31-13)11-21(29)26-12-17-18-7-8-19(24(18)9-10-24)22(17)23(30)28-16-5-3-15(25)4-6-16/h3-8,17-19,22H,9-12H2,1-2H3,(H,26,29)(H,28,30)/t17-,18-,19+,22+/m1/s1
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| InChIKey |
ZEBDHWJXZZUPDE-IWQHBPENSA-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