General Information of the Compound
| Compound ID |
CP0373788
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| Compound Name |
6-(Cyclohexylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1
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| InChI |
InChI=1S/C18H22N4O2/c1-12-9-14(23)7-8-15(12)22-18(24)16-10-17(20-11-19-16)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)
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| InChIKey |
BGHQPXFERWTACA-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5