General Information of the Compound
| Compound ID |
CP0392889
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| Compound Name |
US9617250, Example 57 of D1
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| Structure |
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| Formula |
C24H30N4O5
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| Molecular Weight |
454.527
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| Canonical SMILES |
CCc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
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| InChI |
InChI=1S/C24H30N4O5/c1-5-16-9-17(7-14(3)22(16)32-13-20(30)11-25-21(31)12-29)23-27-24(33-28-23)18-8-15(4)26-19(6-2)10-18/h7-10,20,29-30H,5-6,11-13H2,1-4H3,(H,25,31)/t20-/m0/s1
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| InChIKey |
WLOQAXMSIZTZAD-FQEVSTJZSA-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