General Information of the Compound
| Compound ID |
CP0964490
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| Compound Name |
6-methoxy-3-((1-phenethyl-1H-tetrazol-5-yl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C31H30F3N7O2
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| Molecular Weight |
589.622
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| Canonical SMILES |
COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1
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| InChI |
InChI=1S/C31H30F3N7O2/c1-43-25-10-11-27-22(18-25)19-26(30(42)35-27)28(29-36-37-38-41(29)13-12-21-6-3-2-4-7-21)40-16-14-39(15-17-40)24-9-5-8-23(20-24)31(32,33)34/h2-11,18-20,28H,12-17H2,1H3,(H,35,42)
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| InChIKey |
FAUBXPJKRZBEGW-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