General Information of the Compound
| Compound ID |
CP0457626
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| Compound Name |
1-[(3R)-1-[(5-bromo-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-2-ethyl-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C22H21BrN4O
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| Molecular Weight |
437.341
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| Canonical SMILES |
CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(Br)ccc2[nH]1
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| InChI |
InChI=1S/C22H21BrN4O/c1-2-21-25-18-5-3-4-6-20(18)27(21)16-9-10-26(13-16)22(28)19-12-14-11-15(23)7-8-17(14)24-19/h3-8,11-12,16,24H,2,9-10,13H2,1H3/t16-/m1/s1
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| InChIKey |
ZMIYHYZENWWFRZ-MRXNPFEDSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2