General Information of the Compound
| Compound ID |
CP0451284
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-[(3-oxo-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 |
C25H27BrFN5O3S
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| Molecular Weight |
576.492
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(CNC(=O)C3)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
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| InChI |
InChI=1S/C25H27BrFN5O3S/c1-2-35-24(34)20-18(13-32-8-5-25(6-9-32)12-19(33)29-14-25)30-22(23-28-7-10-36-23)31-21(20)16-4-3-15(27)11-17(16)26/h3-4,7,10-11,21H,2,5-6,8-9,12-14H2,1H3,(H,29,33)(H,30,31)
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| InChIKey |
IUXWWILCKWHYQC-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