General Information of the Compound
| Compound ID |
CP0731075
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| Compound Name |
Trifluoro-acetate(2R,3R)-8-methanesulfonyl-3-(2,4,5-trifluoro-phenyl)-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a]pyridin-2-yl-ammonium
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| Structure |
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| Formula |
C20H17F6N3O4S
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| Molecular Weight |
509.428
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| Canonical SMILES |
CS(=O)(=O)c1ccc2nc3n(c2c1)C[C@H](N)[C@@H](c1cc(F)c(F)cc1F)C3.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N3O2S.C2HF3O2/c1-27(25,26)9-2-3-16-17(4-9)24-8-15(22)11(6-18(24)23-16)10-5-13(20)14(21)7-12(10)19;3-2(4,5)1(6)7/h2-5,7,11,15H,6,8,22H2,1H3;(H,6,7)/t11-,15+;/m1./s1
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| InChIKey |
KIIYQAQRXRUTCG-BTAXJDQBSA-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