General Information of the Compound
| Compound ID |
CP0576643
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| Compound Name |
methyl 1-[[4-[4-(3-cyano-4-propan-2-yloxyphenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
COC(=O)C1CN(Cc2ccc(cc2)-n2cc(nn2)-c2ccc(OC(C)C)c(c2)C#N)C1
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| InChI |
InChI=1S/C24H25N5O3/c1-16(2)32-23-9-6-18(10-19(23)11-25)22-15-29(27-26-22)21-7-4-17(5-8-21)12-28-13-20(14-28)24(30)31-3/h4-10,15-16,20H,12-14H2,1-3H3
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| InChIKey |
HHDIMUDFJGTHHF-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