General Information of the Compound
| Compound ID |
CP0432461
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| Compound Name |
N-[5-[2-amino-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C20H21N7OS2
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| Molecular Weight |
439.57
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1nc(N)sc1-n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C20H21N7OS2/c1-11-15(29-19(22-11)24-17(28)20(2,3)4)14-16(30-18(21)23-14)27-10-13(25-26-27)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,21,23)(H,22,24,28)
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| InChIKey |
HJMLDXPMHUUCSL-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