General Information of the Compound
| Compound ID |
CP0859937
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| Compound Name |
(5R*)-N5-[(2-Acetyl-thiazol-4-yl)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 |
C25H34N4O3S
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| Molecular Weight |
470.639
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| Canonical SMILES |
CC(=O)c1nc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cs1
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| InChI |
InChI=1S/C25H34N4O3S/c1-16(30)24-28-17(15-33-24)14-27-23(32)21-19-7-6-18(25(19)8-9-25)20(21)22(31)26-10-2-3-11-29-12-4-5-13-29/h6-7,15,18-21H,2-5,8-14H2,1H3,(H,26,31)(H,27,32)/t18-,19+,20-,21-/m1/s1
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| InChIKey |
FAVSLXGOTFAVQT-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