General Information of the Compound
| Compound ID |
CP0480629
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| Compound Name |
7-Benzoyl-2-(2,6-dichloro-phenyl)-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 |
C31H27Cl2N3O4S
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| Molecular Weight |
608.547
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| Canonical SMILES |
COc1ccccc1C1N2C=C(SC2=NC(C(=O)c2ccccc2)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C31H27Cl2N3O4S/c1-35(2)16-17-40-30(38)26-27(29(37)19-10-5-4-6-11-19)34-31-36(28(26)20-12-7-8-15-23(20)39-3)18-24(41-31)25-21(32)13-9-14-22(25)33/h4-15,18,28H,16-17H2,1-3H3
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| InChIKey |
NGXHQBDFQRAXJY-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