General Information of the Compound
| Compound ID |
CP0866463
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(2S)-1-hydroxy-4-methyl-pent-2-yl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C23H29BrN2O3
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| Molecular Weight |
461.4
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| Canonical SMILES |
CC(C)C[C@@H](CO)NC(=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/C23H29BrN2O3/c1-13(2)11-16(12-27)26-22(29)20-18-8-7-17(23(18)9-10-23)19(20)21(28)25-15-5-3-14(24)4-6-15/h3-8,13,16-20,27H,9-12H2,1-2H3,(H,25,28)(H,26,29)/t16-,17-,18+,19+,20+/m0/s1
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| InChIKey |
XHZFXJABBNCOGA-CENDIDJXSA-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