General Information of the Compound
| Compound ID |
CP0850493
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-methyl-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 |
CN1CCC(NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C23H28BrN3O2/c1-27-12-8-16(9-13-27)26-22(29)20-18-7-6-17(23(18)10-11-23)19(20)21(28)25-15-4-2-14(24)3-5-15/h2-7,16-20H,8-13H2,1H3,(H,25,28)(H,26,29)/t17-,18+,19+,20+/m0/s1
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| InChIKey |
MGKFBXGTJBPRSJ-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