General Information of the Compound
| Compound ID |
CP0559676
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| Compound Name |
2-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-dimethylamino-ethyl ester
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| Structure |
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| Formula |
C24H22Cl2FN3O2S
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| Molecular Weight |
506.43
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| Canonical SMILES |
CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1F)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C24H22Cl2FN3O2S/c1-14-20(23(31)32-12-11-29(2)3)22(15-7-4-5-10-18(15)27)30-13-19(33-24(30)28-14)21-16(25)8-6-9-17(21)26/h4-10,13,22H,11-12H2,1-3H3
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| InChIKey |
VHKWEWIRNGEUJD-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