General Information of the Compound
| Compound ID |
CP0233409
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| Compound Name |
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
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| Structure |
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| Formula |
C22H28N4O3S2
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| Molecular Weight |
460.625
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| Canonical SMILES |
CCCCCCC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cc(OC)ccc2OC)n1
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| InChI |
InChI=1S/C22H28N4O3S2/c1-5-6-7-8-9-19(27)26-22-23-14(2)20(31-22)17-13-30-21(25-17)24-16-12-15(28-3)10-11-18(16)29-4/h10-13H,5-9H2,1-4H3,(H,24,25)(H,23,26,27)
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| InChIKey |
KPNILKJTRGKNNO-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