General Information of the Compound
| Compound ID |
CP0563520
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| Compound Name |
1-cyclopentyl-N-[3-fluoro-4-[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pyridin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
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| Formula |
C35H36F2N6O5
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| Molecular Weight |
658.706
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| Canonical SMILES |
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CCCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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| InChI |
InChI=1S/C35H36F2N6O5/c1-41-16-13-22(14-17-41)18-32(44)40-31-20-27(12-15-38-31)48-30-11-8-24(19-29(30)37)39-33(45)28-21-42(25-4-2-3-5-25)35(47)43(34(28)46)26-9-6-23(36)7-10-26/h6-12,15,19-22,25H,2-5,13-14,16-18H2,1H3,(H,39,45)(H,38,40,44)
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| InChIKey |
MBJBZECMDXNZSX-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