General Information of the Compound
| Compound ID |
CP0400300
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| Compound Name |
6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H23N5O3S
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| Molecular Weight |
389.481
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)c1cc(NC2CCCCC2)ncn1)S(N)(=O)=O
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| InChI |
InChI=1S/C18H23N5O3S/c1-12-9-14(27(19,25)26)7-8-15(12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)(H2,19,25,26)(H,20,21,22)
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| InChIKey |
UUZYCNGFSOOOSO-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3