General Information of the Compound
| Compound ID |
CP0505497
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| Compound Name |
1-((R)-2-Amino-2-phenyl-ethyl)-3-benzo[1,2,5]thiadiazol-5-yl-5-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione
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| Structure |
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| Formula |
C24H18F2N6O3S
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| Molecular Weight |
508.51
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| Canonical SMILES |
N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1
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| InChI |
InChI=1S/C24H18F2N6O3S/c25-17-7-4-8-18(26)16(17)12-30-22(33)31(13-19(27)14-5-2-1-3-6-14)24(35)32(23(30)34)15-9-10-20-21(11-15)29-36-28-20/h1-11,19H,12-13,27H2/t19-/m0/s1
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| InChIKey |
DFWBWPDCFNLQHE-IBGZPJMESA-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