General Information of the Compound
| Compound ID |
CP0867719
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(1S)-1-carbamoyl-2-phenyl-ethyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H26BrN3O3
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| Molecular Weight |
508.416
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| Canonical SMILES |
NC(=O)[C@H](Cc1ccccc1)NC(=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/C26H26BrN3O3/c27-16-6-8-17(9-7-16)29-24(32)21-18-10-11-19(26(18)12-13-26)22(21)25(33)30-20(23(28)31)14-15-4-2-1-3-5-15/h1-11,18-22H,12-14H2,(H2,28,31)(H,29,32)(H,30,33)/t18-,19+,20-,21+,22+/m0/s1
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| InChIKey |
SAQYDNJUPAKZDR-MLBCHFTJSA-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