General Information of the Compound
| Compound ID |
CP0877374
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| Compound Name |
(5R*)-N5-(5-Bromo-thiazol-2-yl)-(6R*)-N6-((2-imidazolidin-2-on)-1-yl-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C19H22BrN5O3S
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| Molecular Weight |
480.388
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| Canonical SMILES |
O=C(NCCN1CCNC1=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/C19H22BrN5O3S/c20-12-9-23-17(29-12)24-16(27)14-11-2-1-10(19(11)3-4-19)13(14)15(26)21-5-7-25-8-6-22-18(25)28/h1-2,9-11,13-14H,3-8H2,(H,21,26)(H,22,28)(H,23,24,27)/t10-,11+,13-,14-/m1/s1
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| InChIKey |
HNXIVNAAKLQIBA-ZMJPVWNMSA-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