General Information of the Compound
| Compound ID |
CP0116166
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| Compound Name |
(2S,3R)-3-hydroxy-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 |
C17H18F3N5O3S2
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| Molecular Weight |
461.491
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| Canonical SMILES |
Cc1nc(NC(=O)N2CC[C@@H](O)[C@H]2C(N)=O)sc1-c1csc(n1)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N5O3S2/c1-7-11(8-6-29-13(23-8)16(3-4-16)17(18,19)20)30-14(22-7)24-15(28)25-5-2-9(26)10(25)12(21)27/h6,9-10,26H,2-5H2,1H3,(H2,21,27)(H,22,24,28)/t9-,10+/m1/s1
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| InChIKey |
XPIFYYTYBFCEIT-ZJUUUORDSA-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