General Information of the Compound
| Compound ID |
CP0391576
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| Compound Name |
6-[(5-carboxypentanoyl)amino]-1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-enyl]quinolinium iodide
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| Structure |
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| Formula |
C31H34N3O3+
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| Molecular Weight |
496.631
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| Canonical SMILES |
CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(O)=O)ccc3[n+]2CC)C=Cc2ccccc12
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| InChI |
InChI=1S/C31H33N3O3/c1-3-33-26(19-16-23-10-5-6-13-28(23)33)11-9-12-27-20-17-24-22-25(18-21-29(24)34(27)4-2)32-30(35)14-7-8-15-31(36)37/h5-6,9-13,16-22H,3-4,7-8,14-15H2,1-2H3,(H-,32,35,36,37)/p+1
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| InChIKey |
JWUFEKDJUGDVFR-UHFFFAOYSA-O
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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