General Information of the Compound
| Compound ID |
CP0423573
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| Compound Name |
ethyl 6-[(2-benzyl-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-4-(2-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Formula |
C31H29BrFN5O4S
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| Molecular Weight |
666.573
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(C2)CC(=O)N(Cc2ccccc2)C3=O)NC(=NC1c1ccc(F)cc1Br)c1nccs1
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| InChI |
InChI=1S/C31H29BrFN5O4S/c1-2-42-29(40)25-23(35-27(28-34-11-13-43-28)36-26(25)21-9-8-20(33)14-22(21)32)17-37-12-10-31(18-37)15-24(39)38(30(31)41)16-19-6-4-3-5-7-19/h3-9,11,13-14,26H,2,10,12,15-18H2,1H3,(H,35,36)
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| InChIKey |
IXJBRAOIAPGDQW-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