General Information of the Compound
| Compound ID |
CP0874557
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| Compound Name |
Rac-trans-(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-4-(benzyloxy)phenyl)(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C25H23F4N3O4
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| Molecular Weight |
505.468
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| Canonical SMILES |
NCc1cc(Oc2cc(C(=O)N3C[C@H](O)[C@@H](F)C3)ccc2OCc2ccccc2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C25H23F4N3O4/c26-18-12-32(13-19(18)33)24(34)17-6-7-20(35-14-15-4-2-1-3-5-15)21(10-17)36-23-9-16(11-30)8-22(31-23)25(27,28)29/h1-10,18-19,33H,11-14,30H2/t18-,19-/m0/s1
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| InChIKey |
XRSXHZVWZVOWLB-OALUTQOASA-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