General Information of the Compound
| Compound ID |
CP0952750
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| Compound Name |
(5R*)-N5-(2,4,6-Trifluorophenyl-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 |
C26H32F3N3O2
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| Molecular Weight |
475.555
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCc2c(F)cc(F)cc2F)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C26H32F3N3O2/c27-16-13-20(28)17(21(29)14-16)15-31-25(34)23-19-6-5-18(26(19)7-8-26)22(23)24(33)30-9-1-2-10-32-11-3-4-12-32/h5-6,13-14,18-19,22-23H,1-4,7-12,15H2,(H,30,33)(H,31,34)/t18-,19+,22-,23-/m1/s1
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| InChIKey |
CUUGTDTVOLIBJP-IYRWYFENSA-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