General Information of the Compound
| Compound ID |
CP0429861
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| Compound Name |
6-(cyclohexyl(propyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H29N5O3S
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| Molecular Weight |
431.562
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| Canonical SMILES |
CCCN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(N)(=O)=O
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| InChI |
InChI=1S/C21H29N5O3S/c1-3-11-26(16-7-5-4-6-8-16)20-13-19(23-14-24-20)21(27)25-18-10-9-17(12-15(18)2)30(22,28)29/h9-10,12-14,16H,3-8,11H2,1-2H3,(H,25,27)(H2,22,28,29)
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| InChIKey |
WJNRZOPOVIDXMH-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