General Information of the Compound
| Compound ID |
CP0952118
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| Compound Name |
(5R*)-N5-(5-Bromothiazol-2-yl)-(6R*)-N6-(2-methoxy-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C17H20BrN3O3S
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| Molecular Weight |
426.336
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| Canonical SMILES |
COCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C17H20BrN3O3S/c1-24-7-6-19-14(22)12-9-2-3-10(17(9)4-5-17)13(12)15(23)21-16-20-8-11(18)25-16/h2-3,8-10,12-13H,4-7H2,1H3,(H,19,22)(H,20,21,23)/t9-,10+,12-,13-/m1/s1
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| InChIKey |
IMULJJJTKRFLKD-LYIQGSDWSA-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