General Information of the Compound
| Compound ID |
CP0406519
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| Compound Name |
1-[2-(2,6-dichloro-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-6-yl]-ethanone
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| Structure |
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| Formula |
C25H25Cl2N3O3S
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| Molecular Weight |
518.466
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| Canonical SMILES |
COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-10-17(32-4)11-9-16)30-14-20(34-25(30)28-15)22-18(26)6-5-7-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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| InChIKey |
XNDRHSZPAQLJFC-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