General Information of the Compound
| Compound ID |
CP0868961
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[(4-methyl -pyridine-3-carbonyl)-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C24H24BrN3O2
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| Molecular Weight |
466.379
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| Canonical SMILES |
Cc1ccncc1C(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C24H24BrN3O2/c1-14-8-11-26-12-17(14)22(29)27-13-18-19-6-7-20(24(19)9-10-24)21(18)23(30)28-16-4-2-15(25)3-5-16/h2-8,11-12,18-21H,9-10,13H2,1H3,(H,27,29)(H,28,30)/t18-,19-,20+,21+/m1/s1
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| InChIKey |
HVBDFKQFJREXRY-CGXNFDGLSA-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