General Information of the Compound
| Compound ID |
CP0538174
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| Compound Name |
[1-[5-[(3R)-2-oxo-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]oxypyrrolidin-1-yl]pyrimidin-2-yl]azetidin-3-yl] carbamate
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| Structure |
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| Formula |
C19H19F3N6O5
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| Molecular Weight |
468.392
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| Canonical SMILES |
NC(=O)OC1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC(F)(F)F)nc2)C1=O
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| InChI |
InChI=1S/C19H19F3N6O5/c20-19(21,22)10-31-15-2-1-12(7-24-15)32-14-3-4-28(16(14)29)11-5-25-18(26-6-11)27-8-13(9-27)33-17(23)30/h1-2,5-7,13-14H,3-4,8-10H2,(H2,23,30)/t14-/m1/s1
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| InChIKey |
QTAYFPNDRCZHTP-CQSZACIVSA-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