General Information of the Compound
| Compound ID |
CP0399449
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| Compound Name |
N-[4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]phenyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C41H34Cl2N6O5
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| Molecular Weight |
761.666
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(=O)c2ccncc2)cc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C41H34Cl2N6O5/c1-26-22-36(53-24-30-6-3-4-19-45-30)31-7-5-8-35(40(31)47-26)54-25-32-33(42)14-15-34(39(32)43)49(2)38(51)23-46-37(50)16-11-27-9-12-29(13-10-27)48-41(52)28-17-20-44-21-18-28/h3-22H,23-25H2,1-2H3,(H,46,50)(H,48,52)/b16-11+
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| InChIKey |
PLBNJHDGSFKURX-LFIBNONCSA-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