General Information of the Compound
| Compound ID |
CP0453106
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| Compound Name |
N-methyl-N-[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]benzamide
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| Structure |
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| Formula |
C32H31N3O5
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| Molecular Weight |
537.616
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| Canonical SMILES |
CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C32H31N3O5/c1-35(32(38)25-13-7-3-8-14-25)21-30(36)34-29(23-39-22-24-11-5-2-6-12-24)31(37)33-26-17-19-28(20-18-26)40-27-15-9-4-10-16-27/h2-20,29H,21-23H2,1H3,(H,33,37)(H,34,36)
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| InChIKey |
VJBKRSCZUMERCR-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3