General Information of the Compound
| Compound ID |
CP0419392
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| Compound Name |
US9181182, 43
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| Structure |
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| Formula |
C26H34N4O5
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| Molecular Weight |
482.581
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| Canonical SMILES |
CCCOc1ccc(cc1OCCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
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| InChI |
InChI=1S/C26H34N4O5/c1-3-12-33-22-9-8-18(14-23(22)34-13-4-2)25-28-24(29-35-25)20-6-5-7-21-19(20)10-11-30(21)15-26(27,16-31)17-32/h5-9,14,31-32H,3-4,10-13,15-17,27H2,1-2H3
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| InChIKey |
NBOTXMJUPYPBQH-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