General Information of the Compound
| Compound ID |
CP0564219
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| Compound Name |
3-(4-fluorophenyl)-N-[4-[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C33H35FN6O5
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| Molecular Weight |
614.678
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C33H35FN6O5/c1-21(2)39-20-28(32(43)40(33(39)44)25-8-4-23(34)5-9-25)31(42)36-24-6-10-26(11-7-24)45-27-12-15-35-29(19-27)37-30(41)18-22-13-16-38(3)17-14-22/h4-12,15,19-22H,13-14,16-18H2,1-3H3,(H,36,42)(H,35,37,41)
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| InChIKey |
LAPPKEKKVUXSCR-UHFFFAOYSA-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