General Information of the Compound
| Compound ID |
CP0850498
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| Compound Name |
(5R)-N5-(4-Bromo-2,3-difluorophenyl-methyl)-(6R)-N6-(4-pyrrolidino-butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H32BrF2N3O2
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| Molecular Weight |
536.461
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2ccc(Br)c(F)c2F)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C26H32BrF2N3O2/c27-19-8-5-16(22(28)23(19)29)15-31-25(34)21-18-7-6-17(26(18)9-10-26)20(21)24(33)30-11-1-2-12-32-13-3-4-14-32/h5-8,17-18,20-21H,1-4,9-15H2,(H,30,33)(H,31,34)/t17-,18+,20-,21-/m1/s1
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| InChIKey |
CCYMLARANNAQHW-KOUHRCEDSA-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