General Information of the Compound
| Compound ID |
CP0873844
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-benzyl -piperidin-4-yl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C29H32BrN3O2
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| Molecular Weight |
534.498
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C29H32BrN3O2/c30-20-6-8-21(9-7-20)31-27(34)25-23-10-11-24(29(23)14-15-29)26(25)28(35)32-22-12-16-33(17-13-22)18-19-4-2-1-3-5-19/h1-11,22-26H,12-18H2,(H,31,34)(H,32,35)/t23-,24+,25+,26+/m0/s1
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| InChIKey |
WHEKMIGHAYLVBB-BKKFENPESA-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