General Information of the Compound
| Compound ID |
CP0568293
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| Compound Name |
methyl 1-[[4-[4-(3-chloro-4-propan-2-yloxyphenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C23H25ClN4O3
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| Molecular Weight |
440.931
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)-n2cc(nn2)-c2ccc(OC(C)C)c(Cl)c2)C1
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| InChI |
InChI=1S/C23H25ClN4O3/c1-15(2)31-22-9-6-17(10-20(22)24)21-14-28(26-25-21)19-7-4-16(5-8-19)11-27-12-18(13-27)23(29)30-3/h4-10,14-15,18H,11-13H2,1-3H3
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| InChIKey |
DMHICRYGYVMDJG-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