General Information of the Compound
| Compound ID |
CP0897106
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| Compound Name |
N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-pyridin-4-yl-vinyl)-phenyl]-1H-pyrrol-2-ylmethyl}-3-[6-(2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
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| Structure |
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| Formula |
C51H44Cl3N7O2
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| Molecular Weight |
893.319
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(/C=C/c4ccncc4)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(/C=C/c5ccncc5)nc4)c3/C=C/c3ccncc3)c2n1.Cl.Cl.Cl
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| InChI |
InChI=1S/C51H41N7O2.3ClH/c1-37-7-13-43-4-2-6-49(51(43)57-37)60-36-47-42(14-8-38-21-27-52-28-22-38)15-19-48(46(47)18-11-40-25-31-54-32-26-40)58-33-3-5-45(58)35-56-50(59)20-12-41-10-17-44(55-34-41)16-9-39-23-29-53-30-24-39;;;/h2-34H,35-36H2,1H3,(H,56,59);3*1H/b14-8+,16-9+,18-11+,20-12+;;;
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| InChIKey |
WWUXNSOAPCQHHX-AUNOBHPGSA-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