General Information of the Compound
| Compound ID |
CP0375429
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| Compound Name |
2-benzylsulfonyl-5-chloro-N-piperonyl-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H16ClN3O5S
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| Molecular Weight |
445.884
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| Canonical SMILES |
Clc1cnc(nc1C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C20H16ClN3O5S/c21-15-10-23-20(30(26,27)11-13-4-2-1-3-5-13)24-18(15)19(25)22-9-14-6-7-16-17(8-14)29-12-28-16/h1-8,10H,9,11-12H2,(H,22,25)
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| InChIKey |
YXJAEFWDSKWRJT-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3