General Information of the Compound
| Compound ID |
CP0392961
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| Compound Name |
US9617250, Example 101 of D1
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| Structure |
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| Formula |
C25H32N4O5
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| Molecular Weight |
468.554
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| Canonical SMILES |
CCCc1cc(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/C25H32N4O5/c1-5-7-20-11-19(9-16(4)27-20)25-28-24(29-34-25)18-8-15(3)23(17(6-2)10-18)33-14-21(31)12-26-22(32)13-30/h8-11,21,30-31H,5-7,12-14H2,1-4H3,(H,26,32)/t21-/m0/s1
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| InChIKey |
CBQUMBQBJNWZKK-NRFANRHFSA-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