General Information of the Compound
| Compound ID |
CP0861398
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| Compound Name |
(5R*)-N5-(4-Bromophenyl-methyl)-(6R*)-N6-(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 |
C23H28BrN3O2
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| Molecular Weight |
458.4
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| Canonical SMILES |
O=C(NC1CCNCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C23H28BrN3O2/c24-15-3-1-14(2-4-15)13-26-21(28)19-17-5-6-18(23(17)9-10-23)20(19)22(29)27-16-7-11-25-12-8-16/h1-6,16-20,25H,7-13H2,(H,26,28)(H,27,29)/t17-,18+,19+,20+/m0/s1
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| InChIKey |
XRVZUGYKWAKPCX-MTQWCTHYSA-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