General Information of the Compound
| Compound ID |
CP0187093
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| Compound Name |
3-(2,3-dichlorophenyl)-N-(5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide
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| Structure |
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| Formula |
C13H12Cl2N4OS
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| Molecular Weight |
343.239
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| Canonical SMILES |
Clc1cccc(CCC(=O)Nc2nnc3SCCn23)c1Cl
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| InChI |
InChI=1S/C13H12Cl2N4OS/c14-9-3-1-2-8(11(9)15)4-5-10(20)16-12-17-18-13-19(12)6-7-21-13/h1-3H,4-7H2,(H,16,17,20)
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| InChIKey |
APINASOTMBYJNI-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