General Information of the Compound
| Compound ID |
CP0430361
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| Compound Name |
6-(dipropylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
CCCN(CCC)c1cc(ncn1)C(=O)Nc1ccc(O)cc1
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| InChI |
InChI=1S/C17H22N4O2/c1-3-9-21(10-4-2)16-11-15(18-12-19-16)17(23)20-13-5-7-14(22)8-6-13/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23)
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| InChIKey |
UWKRVWBQFLKJHP-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