General Information of the Compound
| Compound ID |
CP0867750
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl-methyl)-(6R*)-N6-(3-pyrrolidin-1-yl-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H32BrN3O2
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| Molecular Weight |
486.454
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| Canonical SMILES |
O=C(NCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C25H32BrN3O2/c26-18-6-4-17(5-7-18)16-28-24(31)22-20-9-8-19(25(20)10-11-25)21(22)23(30)27-12-3-15-29-13-1-2-14-29/h4-9,19-22H,1-3,10-16H2,(H,27,30)(H,28,31)/t19-,20+,21-,22-/m1/s1
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| InChIKey |
FYHFWEKXARECEC-CIAFKFPVSA-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