General Information of the Compound
| Compound ID |
CP0545364
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| Compound Name |
methyl 1-[[4-[4-(4-tert-butylphenyl)triazol-1-yl]phenyl]methyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C26H32N4O2
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| Molecular Weight |
432.568
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| Canonical SMILES |
COC(=O)C1CCN(Cc2ccc(cc2)-n2cc(nn2)-c2ccc(cc2)C(C)(C)C)CC1
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| InChI |
InChI=1S/C26H32N4O2/c1-26(2,3)22-9-7-20(8-10-22)24-18-30(28-27-24)23-11-5-19(6-12-23)17-29-15-13-21(14-16-29)25(31)32-4/h5-12,18,21H,13-17H2,1-4H3
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| InChIKey |
FPSOTOYAUDAJHH-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: PT01838, Sphingosine 1-phosphate receptor 3