General Information of the Compound
| Compound ID |
CP0899822
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| Compound Name |
(5R*)-N5-(3-Acetylphenyl-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 |
C28H37N3O3
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| Molecular Weight |
463.622
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| Canonical SMILES |
CC(=O)c1cccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c1
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| InChI |
InChI=1S/C28H37N3O3/c1-19(32)21-8-6-7-20(17-21)18-30-27(34)25-23-10-9-22(28(23)11-12-28)24(25)26(33)29-13-2-3-14-31-15-4-5-16-31/h6-10,17,22-25H,2-5,11-16,18H2,1H3,(H,29,33)(H,30,34)/t22-,23+,24-,25-/m1/s1
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| InChIKey |
KCQBOAXJVWWREZ-ZFFYZDHPSA-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