General Information of the Compound
| Compound ID |
CP0487579
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| Compound Name |
3-[(3E)-3-[[4-(3-phenylpropoxy)phenyl]methylidene]piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
OC(=O)CCN1CCC\C(C1)=C/c1ccc(OCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C24H29NO3/c26-24(27)14-16-25-15-4-8-22(19-25)18-21-10-12-23(13-11-21)28-17-5-9-20-6-2-1-3-7-20/h1-3,6-7,10-13,18H,4-5,8-9,14-17,19H2,(H,26,27)/b22-18+
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| InChIKey |
SHVNGBARXKMCKR-RELWKKBWSA-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