General Information of the Compound
| Compound ID |
CP0480177
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| Compound Name |
[2-amino-4-[4-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
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| Structure |
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| Formula |
C19H22ClN4O5P
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| Molecular Weight |
452.835
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| Canonical SMILES |
NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(Cl)cc1)COP(O)(O)=O
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| InChI |
InChI=1S/C19H22ClN4O5P/c20-16-5-7-17(8-6-16)24-11-18(22-23-24)15-3-1-14(2-4-15)9-10-19(21,12-25)13-29-30(26,27)28/h1-8,11,25H,9-10,12-13,21H2,(H2,26,27,28)
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| InChIKey |
LAFSMQLHDNOBNZ-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