General Information of the Compound
| Compound ID |
CP0535343
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| Compound Name |
2-(2,6-Dichloro-phenyl)-7-ethyl-5-(2-methoxy-phenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-dimethylamino-ethyl ester
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| Structure |
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| Formula |
C26H27Cl2N3O3S
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| Molecular Weight |
532.493
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| Canonical SMILES |
CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCCN(C)C
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| InChI |
InChI=1S/C26H27Cl2N3O3S/c1-5-19-23(25(32)34-14-13-30(2)3)24(16-9-6-7-12-20(16)33-4)31-15-21(35-26(31)29-19)22-17(27)10-8-11-18(22)28/h6-12,15,24H,5,13-14H2,1-4H3
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| InChIKey |
VNUCNKCATYSOBV-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