General Information of the Compound
| Compound ID |
CP0530672
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| Compound Name |
N-(3,4-dimethoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H27N5O4S
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| Molecular Weight |
433.534
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| Canonical SMILES |
COc1ccc(NC(=O)c2cnc(SC)nc2N2CCN(CCO)CC2)cc1OC
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| InChI |
InChI=1S/C20H27N5O4S/c1-28-16-5-4-14(12-17(16)29-2)22-19(27)15-13-21-20(30-3)23-18(15)25-8-6-24(7-9-25)10-11-26/h4-5,12-13,26H,6-11H2,1-3H3,(H,22,27)
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| InChIKey |
BDDPYIIWSDYSSW-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