General Information of the Compound
| Compound ID |
CP0777751
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| Compound Name |
Trifluoro-acetate(2R,3R)-6,7,8-trifluoro-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 |
C19H12F9N3O2
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| Molecular Weight |
485.306
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| Canonical SMILES |
N[C@H]1Cn2c(nc3c(F)c(F)c(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H11F6N3.C2HF3O2/c18-8-3-10(20)9(19)1-6(8)7-2-14-25-17-13(26(14)5-12(7)24)4-11(21)15(22)16(17)23;3-2(4,5)1(6)7/h1,3-4,7,12H,2,5,24H2;(H,6,7)/t7-,12+;/m1./s1
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| InChIKey |
QBWXYELDUXNSAJ-JDBHXEDDSA-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