General Information of the Compound
| Compound ID |
CP0934305
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| Compound Name |
(5R*)-N5-(5-Bromo-thiazol-2-yl)-(6R*)-N6-(3-pyrrolidin-1-yl -propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C21H27BrN4O2S
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| Molecular Weight |
479.444
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| Canonical SMILES |
O=C(NCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C21H27BrN4O2S/c22-15-12-24-20(29-15)25-19(28)17-14-5-4-13(21(14)6-7-21)16(17)18(27)23-8-3-11-26-9-1-2-10-26/h4-5,12-14,16-17H,1-3,6-11H2,(H,23,27)(H,24,25,28)/t13-,14+,16-,17-/m1/s1
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| InChIKey |
XYIFDGDKYUYLGB-YALNPMBYSA-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