General Information of the Compound
| Compound ID |
CP0534275
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| Compound Name |
(2R)-2-(4-fluoro-3-methoxyphenyl)-2-methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
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| Structure |
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| Formula |
C19H21FN8O3S
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| Molecular Weight |
460.495
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| Canonical SMILES |
CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccc(F)c(OC)c1
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| InChI |
InChI=1S/C19H21FN8O3S/c1-30-14-7-11(3-4-13(14)20)16(31-2)17(29)24-19-27-26-18(32-19)23-12-5-6-28(9-12)15-8-21-10-22-25-15/h3-4,7-8,10,12,16H,5-6,9H2,1-2H3,(H,23,26)(H,24,27,29)/t12-,16-/m1/s1
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| InChIKey |
KRSPFSSFLXKAOW-MLGOLLRUSA-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