General Information of the Compound
| Compound ID |
CP0867718
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H30BrN3O3
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| Molecular Weight |
488.426
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| Canonical SMILES |
CNC(=O)[C@H](NC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(C)(C)C
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| InChI |
InChI=1S/C24H30BrN3O3/c1-23(2,3)19(22(31)26-4)28-21(30)18-16-10-9-15(24(16)11-12-24)17(18)20(29)27-14-7-5-13(25)6-8-14/h5-10,15-19H,11-12H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)/t15-,16+,17+,18+,19-/m0/s1
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| InChIKey |
YNCNAFZKPANFTE-VHPHOLNESA-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