General Information of the Compound
| Compound ID |
CP0041059
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| Compound Name |
(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C17H19FN4O4S2
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| Molecular Weight |
426.495
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(c(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
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| InChIKey |
QYQCPRXWGNJKFL-LBPRGKRZSA-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