General Information of the Compound
| Compound ID |
CP0877230
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-tert-butoxycarbonyl-azetidin-3-yl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H30BrN3O4
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| Molecular Weight |
516.436
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)C1
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| InChI |
InChI=1S/C25H30BrN3O4/c1-24(2,3)33-23(32)29-12-16(13-29)28-22(31)20-18-9-8-17(25(18)10-11-25)19(20)21(30)27-15-6-4-14(26)5-7-15/h4-9,16-20H,10-13H2,1-3H3,(H,27,30)(H,28,31)/t17-,18+,19+,20+/m0/s1
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| InChIKey |
INCSEAIAYIQLRK-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