General Information of the Compound
| Compound ID |
CP0041063
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| Compound Name |
(2S)-2-methyl-1-N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H20F3N5O2S2
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| Molecular Weight |
459.519
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N5O2S2/c1-9-11(10-8-29-13(24-10)17(5-6-17)18(19,20)21)30-14(23-9)25-15(28)26-7-3-4-16(26,2)12(22)27/h8H,3-7H2,1-2H3,(H2,22,27)(H,23,25,28)/t16-/m0/s1
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| InChIKey |
SPBMXQRJXGLWKE-INIZCTEOSA-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