General Information of the Compound
| Compound ID |
CP0904290
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| Compound Name |
(5R*)-N5-[(4-Acetyl-thiazol-2-yl)methyl]-(6R*)-N6-(2-methylamino-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H26N4O3S
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| Molecular Weight |
402.52
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| Canonical SMILES |
CNCCNC(=O)[C@H]1[C@H](C(=O)NCc2nc(C(C)=O)cs2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C20H26N4O3S/c1-11(25)14-10-28-15(24-14)9-23-19(27)17-13-4-3-12(20(13)5-6-20)16(17)18(26)22-8-7-21-2/h3-4,10,12-13,16-17,21H,5-9H2,1-2H3,(H,22,26)(H,23,27)/t12-,13+,16-,17-/m1/s1
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| InChIKey |
UVLFUXKSDUXKOC-DLTLXFJOSA-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