General Information of the Compound
| Compound ID |
CP0871332
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[N-(2-(2-chloro-phenyl)-acetyl)-N-methyl-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C26H26BrClN2O2
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| Molecular Weight |
513.863
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| Canonical SMILES |
CN(C[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(=O)Cc1ccccc1Cl
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| InChI |
InChI=1S/C26H26BrClN2O2/c1-30(23(31)14-16-4-2-3-5-22(16)28)15-19-20-10-11-21(26(20)12-13-26)24(19)25(32)29-18-8-6-17(27)7-9-18/h2-11,19-21,24H,12-15H2,1H3,(H,29,32)/t19-,20-,21+,24+/m1/s1
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| InChIKey |
KJEHFDPDDRVAMU-YOEKFXIASA-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