General Information of the Compound
| Compound ID |
CP0244233
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| Compound Name |
4-tert-butyl-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide
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| Structure |
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| Formula |
C15H18N4OS
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| Molecular Weight |
302.403
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc2SCCn12
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| InChI |
InChI=1S/C15H18N4OS/c1-15(2,3)11-6-4-10(5-7-11)12(20)16-13-17-18-14-19(13)8-9-21-14/h4-7H,8-9H2,1-3H3,(H,16,17,20)
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| InChIKey |
VNFVQSRTHCEODA-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
Protein ID: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2