General Information of the Compound
| Compound ID |
CP0467095
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| Compound Name |
(E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl)-2,4-bis-((E)-2-pyridin-4-yl-vinyl)-phenyl]-carbamoyl}-methyl)-3-[6-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
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| Structure |
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| Formula |
C49H41N7O3
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| Molecular Weight |
775.913
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(\C=C\c2ccncc2)c(COc2cccc3ccc(C)nc23)c1\C=C\c1ccncc1
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| InChI |
InChI=1S/C49H41N7O3/c1-35-6-12-41-4-3-5-46(49(41)55-35)59-34-44-40(13-7-36-20-26-50-27-21-36)14-18-45(43(44)17-10-38-24-30-52-31-25-38)56(2)48(58)33-54-47(57)19-11-39-9-16-42(53-32-39)15-8-37-22-28-51-29-23-37/h3-32H,33-34H2,1-2H3,(H,54,57)/b13-7+,15-8+,17-10+,19-11+
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| InChIKey |
CCYWCCDLLZMAGA-SBSDBBAQSA-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