General Information of the Compound
| Compound ID |
CP0293423
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| Compound Name |
(E)-N-[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide
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| Structure |
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| Formula |
C39H35Cl2N5O5
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| Molecular Weight |
724.645
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C39H35Cl2N5O5/c1-25-21-34(50-23-27-7-3-4-19-42-27)29-8-5-9-33(39(29)44-25)51-24-30-31(40)16-17-32(38(30)41)45(2)37(49)22-43-35(47)18-13-26-11-14-28(15-12-26)46-20-6-10-36(46)48/h3-5,7-9,11-19,21H,6,10,20,22-24H2,1-2H3,(H,43,47)/b18-13+
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| InChIKey |
UHWLNHYQMSFQFM-QGOAFFKASA-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