General Information of the Compound
| Compound ID |
CP0850380
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-tert-butoxycarbonyl-amino-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H30BrN3O4
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| Molecular Weight |
504.425
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| Canonical SMILES |
CC(C)(C)OC(=O)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/C24H30BrN3O4/c1-23(2,3)32-22(31)27-13-12-26-20(29)18-16-8-9-17(24(16)10-11-24)19(18)21(30)28-15-6-4-14(25)5-7-15/h4-9,16-19H,10-13H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)/t16-,17+,18-,19-/m1/s1
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| InChIKey |
FDGBDJZIWPHYHT-FCGDIQPGSA-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