General Information of the Compound
| Compound ID |
CP0416744
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| Compound Name |
1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
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| Structure |
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| Formula |
C25H27N2+
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| Molecular Weight |
355.505
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| Canonical SMILES |
CC(C)N1\C(=C/c2cc[n+](C(C)C)c3ccccc23)C=Cc2ccccc12
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| InChI |
InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
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| InChIKey |
TYFOKKOWQOKKCH-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: PT06157, Solute carrier family 22 member 1
Protein ID: PT04368, Solute carrier family 22 member 2