General Information of the Compound
| Compound ID |
CP0373573
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| Compound Name |
6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
Oc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
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| InChI |
InChI=1S/C17H20N4O2/c22-14-8-6-13(7-9-14)21-17(23)15-10-16(19-11-18-15)20-12-4-2-1-3-5-12/h6-12,22H,1-5H2,(H,21,23)(H,18,19,20)
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| InChIKey |
VEDUQSQBRDPRGJ-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