General Information of the Compound
| Compound ID |
CP0849529
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| Compound Name |
(5R)-N5-(5-Bromopyrid-2-yl)-(6R)-N6-(3-amino-3-oxopropyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H23BrN4O3
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| Molecular Weight |
447.333
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| Canonical SMILES |
NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cn2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C20H23BrN4O3/c21-11-1-2-12(24-9-11)10-25-19(28)17-14-4-3-13(20(14)6-7-20)16(17)18(27)23-8-5-15(22)26/h1-4,9,13-14,16-17H,5-8,10H2,(H2,22,26)(H,23,27)(H,25,28)/t13-,14+,16-,17-/m1/s1
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| InChIKey |
LDPRYKYELYQHBY-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