General Information of the Compound
| Compound ID |
CP0432462
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| Compound Name |
2,2-dimethyl-N-[4-methyl-5-[2-(methylamino)-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
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| Structure |
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| Formula |
C21H23N7OS2
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| Molecular Weight |
453.597
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| Canonical SMILES |
CNc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C21H23N7OS2/c1-12-16(30-20(23-12)25-18(29)21(2,3)4)15-17(31-19(22-5)24-15)28-11-14(26-27-28)13-9-7-6-8-10-13/h6-11H,1-5H3,(H,22,24)(H,23,25,29)
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| InChIKey |
AEZRZTTVXCLQFZ-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