General Information of the Compound
| Compound ID |
CP0417220
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| Compound Name |
5-(3-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)phenyl)-N-(2-methoxyethyl)-N-methylpicolinamide
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| Structure |
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| Formula |
C31H29N5O6S
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| Molecular Weight |
599.669
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| Canonical SMILES |
COCCN(C)C(=O)c1ccc(cn1)-c1cccc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)c1
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| InChI |
InChI=1S/C31H29N5O6S/c1-35(10-11-38-2)29(37)24-9-8-21(16-32-24)20-7-5-6-19(12-20)18-41-26-13-22(39-3)14-27-23(26)15-28(42-27)25-17-36-30(33-25)43-31(34-36)40-4/h5-9,12-17H,10-11,18H2,1-4H3
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| InChIKey |
DAXLLMJGHYRWDS-UHFFFAOYSA-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