General Information of the Compound
| Compound ID |
CP0440811
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| Compound Name |
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(trifluoromethyl)-1H-1,3-benzodiazole
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(nc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N4O2/c1-32-16-6-7-17-14(12-16)13-19(27-17)21(31)29-10-8-15(9-11-29)30-20-5-3-2-4-18(20)28-22(30)23(24,25)26/h2-7,12-13,15,27H,8-11H2,1H3
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| InChIKey |
PSXMMUKPLDIXTI-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