General Information of the Compound
| Compound ID |
CP0773309
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| Compound Name |
Trifluoro-acetate(2R,3R)-6,8-difluoro-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 |
C19H13F8N3O2
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| Molecular Weight |
467.316
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| Canonical SMILES |
N[C@H]1Cn2c(nc3c(F)cc(F)cc32)C[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H12F5N3.C2HF3O2/c18-7-1-13(22)17-15(2-7)25-6-14(23)9(4-16(25)24-17)8-3-11(20)12(21)5-10(8)19;3-2(4,5)1(6)7/h1-3,5,9,14H,4,6,23H2;(H,6,7)/t9-,14+;/m1./s1
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| InChIKey |
PNPRTGZRPXCJFN-ZISODDOFSA-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