General Information of the Compound
| Compound ID |
CP0464109
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| Compound Name |
5-chloro-2-(3-methylbenzyl)sulfonyl-N-piperonyl-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H18ClN3O5S
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| Molecular Weight |
459.911
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| Canonical SMILES |
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C21H18ClN3O5S/c1-13-3-2-4-15(7-13)11-31(27,28)21-24-10-16(22)19(25-21)20(26)23-9-14-5-6-17-18(8-14)30-12-29-17/h2-8,10H,9,11-12H2,1H3,(H,23,26)
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| InChIKey |
HVKFBIGLGBTJPR-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: PT06172, Mothers against decapentaplegic homolog 3