General Information of the Compound
| Compound ID |
CP0440810
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| Compound Name |
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-phenyl-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C28H26N4O2/c1-34-22-11-12-23-20(17-22)18-25(29-23)28(33)31-15-13-21(14-16-31)32-26-10-6-5-9-24(26)30-27(32)19-7-3-2-4-8-19/h2-12,17-18,21,29H,13-16H2,1H3
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| InChIKey |
ZNSWMXKHYJKZDL-UHFFFAOYSA-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