General Information of the Compound
| Compound ID |
CP0459376
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| Compound Name |
N-methyl-1-[5-[(3R)-2-oxo-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]oxypyrrolidin-1-yl]pyrimidin-2-yl]-N-propan-2-ylazetidine-3-carboxamide
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| Structure |
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| Formula |
C23H27F3N6O4
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| Molecular Weight |
508.501
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| Canonical SMILES |
CC(C)N(C)C(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(OCC(F)(F)F)nc2)C1=O
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| InChI |
InChI=1S/C23H27F3N6O4/c1-14(2)30(3)20(33)15-11-31(12-15)22-28-8-16(9-29-22)32-7-6-18(21(32)34)36-17-4-5-19(27-10-17)35-13-23(24,25)26/h4-5,8-10,14-15,18H,6-7,11-13H2,1-3H3/t18-/m1/s1
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| InChIKey |
BJUSHHWIBYGZIN-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