General Information of the Compound
| Compound ID |
CP0245294
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| Compound Name |
1-[(4R)-4-[2-amino-5-(1-methylimidazol-4-yl)pyridin-3-yl]oxy-3,3-difluoropyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
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| Structure |
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| Formula |
C22H20F5N5O3
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| Molecular Weight |
497.424
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| Canonical SMILES |
Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C22H20F5N5O3/c1-31-9-16(30-12-31)14-7-17(20(28)29-8-14)34-18-10-32(11-21(18,23)24)19(33)6-13-2-4-15(5-3-13)35-22(25,26)27/h2-5,7-9,12,18H,6,10-11H2,1H3,(H2,28,29)/t18-/m1/s1
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| InChIKey |
KOLTWFNXRNPPPE-GOSISDBHSA-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