General Information of the Compound
| Compound ID |
CP0859192
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| Compound Name |
(5R*)-N5-(4-oxo-pentyl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H37N3O3
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| Molecular Weight |
415.578
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| Canonical SMILES |
CC(=O)CCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
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| InChI |
InChI=1S/C24H37N3O3/c1-17(28)7-6-13-26-23(30)21-19-9-8-18(24(19)10-11-24)20(21)22(29)25-12-2-3-14-27-15-4-5-16-27/h8-9,18-21H,2-7,10-16H2,1H3,(H,25,29)(H,26,30)/t18-,19+,20-,21-/m1/s1
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| InChIKey |
KRUIPFLVJYRFLV-PLACYPQZSA-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