General Information of the Compound
| Compound ID |
CP0414868
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| Compound Name |
2-[4-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]phenyl]acetic acid
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| Structure |
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| Formula |
C27H21NO2S
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| Molecular Weight |
423.537
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| Canonical SMILES |
OC(=O)Cc1ccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C27H21NO2S/c29-27(30)13-18-5-10-24(11-6-18)28-17-25-16-23-15-22(9-12-26(23)31-25)21-8-7-19-3-1-2-4-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)
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| InChIKey |
NSVDAPCCMZJNJR-UHFFFAOYSA-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: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5