General Information of the Compound
| Compound ID |
CP0424810
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| Compound Name |
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C24H26N4O2
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| Molecular Weight |
402.498
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| Canonical SMILES |
CCc1nc2ccccc2n1C1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
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| InChI |
InChI=1S/C24H26N4O2/c1-3-23-26-20-6-4-5-7-22(20)28(23)17-10-12-27(13-11-17)24(29)21-15-16-14-18(30-2)8-9-19(16)25-21/h4-9,14-15,17,25H,3,10-13H2,1-2H3
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| InChIKey |
VFINORKTHQRPLO-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