General Information of the Compound
| Compound ID |
CP0444738
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Formula |
C24H26BrFN4O4S
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| Molecular Weight |
565.465
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=NC1c1ccc(F)cc1Br)c1nccs1
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| InChI |
InChI=1S/C24H26BrFN4O4S/c1-2-32-23(31)19-18(14-30-8-5-24(6-9-30)33-10-11-34-24)28-21(22-27-7-12-35-22)29-20(19)16-4-3-15(26)13-17(16)25/h3-4,7,12-13,20H,2,5-6,8-11,14H2,1H3,(H,28,29)
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| InChIKey |
WYOBGYLEVKVPEU-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