General Information of the Compound
| Compound ID |
CP0574137
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| Compound Name |
1-[(3S,4S)-3-[2-amino-5-(1-methylimidazol-4-yl)pyridin-3-yl]oxy-4-fluoropyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
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| Structure |
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| Formula |
C22H21F4N5O3
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| Molecular Weight |
479.434
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| Canonical SMILES |
Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(C[C@@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m0/s1
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| InChIKey |
BCBOSJKHVGJHKV-LPHOPBHVSA-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