General Information of the Compound
| Compound ID |
CP0317111
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-[({2,4-dichloro-3-[2-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-4-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-acrylamide
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| Structure |
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| Formula |
C31H32Cl2N6O6
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| Molecular Weight |
655.539
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| Canonical SMILES |
COCCn1c(OC)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12
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| InChI |
InChI=1S/C31H32Cl2N6O6/c1-19(40)36-26-12-8-20(16-34-26)9-13-27(41)35-17-28(42)38(2)23-11-10-22(32)21(29(23)33)18-45-25-7-5-6-24-30(25)37-31(44-4)39(24)14-15-43-3/h5-13,16H,14-15,17-18H2,1-4H3,(H,35,41)(H,34,36,40)/b13-9+
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| InChIKey |
FFBBRBMZBZYBQC-UKTHLTGXSA-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