General Information of the Compound
| Compound ID |
CP0422226
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| Compound Name |
CHEMBL4793467
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| Formula |
C25H33NO3
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| Molecular Weight |
395.543
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| Canonical SMILES |
C[C@H]1CC[C@H](CC1)Oc1cc(C)c2ccccc2c1CN1CCC(CC1)C(O)=O
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| InChI |
InChI=1S/C25H33NO3/c1-17-7-9-20(10-8-17)29-24-15-18(2)21-5-3-4-6-22(21)23(24)16-26-13-11-19(12-14-26)25(27)28/h3-6,15,17,19-20H,7-14,16H2,1-2H3,(H,27,28)/t17-,20+
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| InChIKey |
KYCJKCKODMAYEM-MSEWRSJXSA-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5