General Information of the Compound
| Compound ID |
CP0868020
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl-methyl)-(6R*)-N6-(3-(1H-benzoimidazol-2-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C28H29BrN4O2
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| Molecular Weight |
533.47
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| Canonical SMILES |
O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C28H29BrN4O2/c29-18-9-7-17(8-10-18)16-31-27(35)25-20-12-11-19(28(20)13-14-28)24(25)26(34)30-15-3-6-23-32-21-4-1-2-5-22(21)33-23/h1-2,4-5,7-12,19-20,24-25H,3,6,13-16H2,(H,30,34)(H,31,35)(H,32,33)/t19-,20+,24-,25-/m1/s1
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| InChIKey |
GEEAOTPVRFHUEJ-GCYXNMHMSA-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