General Information of the Compound
| Compound ID |
CP0935342
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| Compound Name |
(5R*)-N5-(4,5-Dimethyl-thiazol-2-yl)-(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 |
C24H34N4O2S
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| Molecular Weight |
442.629
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| Canonical SMILES |
Cc1nc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)sc1C
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| InChI |
InChI=1S/C24H34N4O2S/c1-15-16(2)31-23(26-15)27-22(30)20-18-8-7-17(24(18)9-10-24)19(20)21(29)25-11-3-4-12-28-13-5-6-14-28/h7-8,17-20H,3-6,9-14H2,1-2H3,(H,25,29)(H,26,27,30)/t17-,18+,19-,20-/m1/s1
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| InChIKey |
DGPAOPQUGYCMLX-IYWMVGAKSA-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