General Information of the Compound
| Compound ID |
CP0793144
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| Compound Name |
Trifluoro-acetate(2R,3R)-7-carboxy-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 |
C20H15F6N3O4
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| Molecular Weight |
475.345
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| Canonical SMILES |
N[C@H]1Cn2c(nc3cc(C(=O)O)ccc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H14F3N3O2.C2HF3O2/c19-11-6-13(21)12(20)4-9(11)10-5-17-23-15-3-8(18(25)26)1-2-16(15)24(17)7-14(10)22;3-2(4,5)1(6)7/h1-4,6,10,14H,5,7,22H2,(H,25,26);(H,6,7)/t10-,14+;/m1./s1
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| InChIKey |
YLBVENHNDFDQFZ-LOSLGVLSSA-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