General Information of the Compound
| Compound ID |
CP0867729
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(1-hydroxy-prop-2-yl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C22H28BrN3O3
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| Molecular Weight |
462.388
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| Canonical SMILES |
CC(CO)NCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C22H28BrN3O3/c1-13(12-27)24-10-11-25-20(28)18-16-6-7-17(22(16)8-9-22)19(18)21(29)26-15-4-2-14(23)3-5-15/h2-7,13,16-19,24,27H,8-12H2,1H3,(H,25,28)(H,26,29)/t13?,16-,17+,18-,19-/m1/s1
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| InChIKey |
AXEVIDYKESCKDK-SMXSEESUSA-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