General Information of the Compound
| Compound ID |
CP0638601
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| Compound Name |
3-(4-Isopropyl-[1,2,3]thiadiazol-5-yl]-5-(5-methyl-pyridin-2-yl)-N-(2-methyl-pyrimidin-5-ylmethyl)-benzamide
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| Structure |
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| Formula |
C24H24N6OS
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| Molecular Weight |
444.564
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(-c3snnc3C(C)C)c2)nc1
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| InChI |
InChI=1S/C24H24N6OS/c1-14(2)22-23(32-30-29-22)19-7-18(21-6-5-15(3)10-27-21)8-20(9-19)24(31)28-13-17-11-25-16(4)26-12-17/h5-12,14H,13H2,1-4H3,(H,28,31)
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| InChIKey |
DRWUOGAXURZYOQ-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