General Information of the Compound
| Compound ID |
CP0054680
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| Compound Name |
(2S,3S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H25N5O2S2
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| Molecular Weight |
407.565
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| Canonical SMILES |
C[C@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C(C)(C)C
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| InChI |
InChI=1S/C18H25N5O2S2/c1-9-6-7-23(12(9)14(19)24)17(25)22-16-20-10(2)13(27-16)11-8-26-15(21-11)18(3,4)5/h8-9,12H,6-7H2,1-5H3,(H2,19,24)(H,20,22,25)/t9-,12-/m0/s1
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| InChIKey |
GXFXJGPKQLBISM-CABZTGNLSA-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