General Information of the Compound
| Compound ID |
CP0554516
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| Compound Name |
1-cyclopropyl-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 |
C33H32F2N6O5
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| Molecular Weight |
630.652
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| Canonical SMILES |
CN1CCC(CC(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C5CC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)CC1
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| InChI |
InChI=1S/C33H32F2N6O5/c1-39-14-11-20(12-15-39)16-30(42)38-29-18-25(10-13-36-29)46-28-9-4-22(17-27(28)35)37-31(43)26-19-40(23-7-8-23)33(45)41(32(26)44)24-5-2-21(34)3-6-24/h2-6,9-10,13,17-20,23H,7-8,11-12,14-16H2,1H3,(H,37,43)(H,36,38,42)
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| InChIKey |
BSBDXSGQMHVOLT-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