General Information of the Compound
| Compound ID |
CP0041055
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| Compound Name |
(2S,4R)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-fluoropyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C17H22FN5O2S2
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| Molecular Weight |
411.528
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| Canonical SMILES |
Cc1nc(NC(=O)N2C[C@H](F)C[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C
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| InChI |
InChI=1S/C17H22FN5O2S2/c1-8-12(10-7-26-14(21-10)17(2,3)4)27-15(20-8)22-16(25)23-6-9(18)5-11(23)13(19)24/h7,9,11H,5-6H2,1-4H3,(H2,19,24)(H,20,22,25)/t9-,11+/m1/s1
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| InChIKey |
XNYCSSIDOONLFV-KOLCDFICSA-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