General Information of the Compound
| Compound ID |
CP0396470
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| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-[(2-hydroxyethylamino)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C19H20ClFN4O3S
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| Molecular Weight |
438.912
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| Canonical SMILES |
CCOC(=O)C1=C(CNCCO)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
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| InChI |
InChI=1S/C19H20ClFN4O3S/c1-2-28-19(27)15-14(10-22-5-7-26)24-17(18-23-6-8-29-18)25-16(15)12-4-3-11(21)9-13(12)20/h3-4,6,8-9,16,22,26H,2,5,7,10H2,1H3,(H,24,25)
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| InChIKey |
LFPWBIPJFCFIIF-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