General Information of the Compound
| Compound ID |
CP0419007
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-[(1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Formula |
C25H25BrFN5O4S
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| Molecular Weight |
590.475
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(CC(=O)NC3=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
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| InChI |
InChI=1S/C25H25BrFN5O4S/c1-2-36-23(34)19-17(13-32-8-5-25(6-9-32)12-18(33)30-24(25)35)29-21(22-28-7-10-37-22)31-20(19)15-4-3-14(27)11-16(15)26/h3-4,7,10-11,20H,2,5-6,8-9,12-13H2,1H3,(H,29,31)(H,30,33,35)
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| InChIKey |
ADYVXWDDZJIPRE-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