General Information of the Compound
| Compound ID |
CP0952725
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-carbamoyl-ethyl)-(4S*,7R*)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H24BrN3O3
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| Molecular Weight |
434.334
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| Canonical SMILES |
NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C20H24BrN3O3/c21-11-1-3-12(4-2-11)24-19(27)17-14-6-5-13(20(14)8-9-20)16(17)18(26)23-10-7-15(22)25/h1-4,13-14,16-17H,5-10H2,(H2,22,25)(H,23,26)(H,24,27)/t13-,14+,16-,17-/m1/s1
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| InChIKey |
SPKNGNXXNHURBS-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