General Information of the Compound
| Compound ID |
CP0317629
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| Compound Name |
3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-yl-N-[4-[6-[(3-pyrrolidin-1-ylazetidine-1-carbonyl)amino]pyrimidin-4-yl]oxyphenyl]pyrimidine-5-carboxamide
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| Formula |
C32H33FN8O5
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| Molecular Weight |
628.665
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(C4)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C32H33FN8O5/c1-20(2)40-18-26(30(43)41(32(40)45)23-9-5-21(33)6-10-23)29(42)36-22-7-11-25(12-8-22)46-28-15-27(34-19-35-28)37-31(44)39-16-24(17-39)38-13-3-4-14-38/h5-12,15,18-20,24H,3-4,13-14,16-17H2,1-2H3,(H,36,42)(H,34,35,37,44)
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| InChIKey |
NUTKAHHQRZGHIS-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