General Information of the Compound
| Compound ID |
CP0557698
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| Compound Name |
N-[2-fluoro-4-[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pyridin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C33H34F2N6O5
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| Molecular Weight |
632.668
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CC4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C33H34F2N6O5/c1-20(2)40-19-26(32(44)41(33(40)45)23-6-4-22(34)5-7-23)31(43)37-28-9-8-24(17-27(28)35)46-25-10-13-36-29(18-25)38-30(42)16-21-11-14-39(3)15-12-21/h4-10,13,17-21H,11-12,14-16H2,1-3H3,(H,37,43)(H,36,38,42)
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| InChIKey |
WFAOCMRUJDNSOA-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