General Information of the Compound
| Compound ID |
CP0425725
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| Compound Name |
CHEMBL4798593
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| Formula |
C25H35NO3
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| Molecular Weight |
397.559
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| Canonical SMILES |
Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNCCC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H35NO3/c1-17-15-23(29-19-11-9-18(10-12-19)25(2,3)4)22(16-26-14-13-24(27)28)21-8-6-5-7-20(17)21/h5-8,15,18-19,26H,9-14,16H2,1-4H3,(H,27,28)/t18-,19-
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| InChIKey |
VSIIPXVABDRONW-WGSAOQKQSA-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5