General Information of the Compound
| Compound ID |
CP0257056
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| Compound Name |
[(8R)-8-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
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| Structure |
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| Formula |
C21H16F3N5OS2
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| Molecular Weight |
475.521
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C21H16F3N5OS2/c1-12-17-26-27-18(15-11-32-20(25-15)21(22,23)24)29(17)9-8-28(12)19(30)14-6-4-13(5-7-14)16-3-2-10-31-16/h2-7,10-12H,8-9H2,1H3/t12-/m1/s1
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| InChIKey |
OTGOCKFNIHTQCV-GFCCVEGCSA-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