General Information of the Compound
| Compound ID |
CP0424850
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| Compound Name |
2-propan-2-yloxy-5-[5-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C18H18N6OS
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| Molecular Weight |
366.45
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1cc2CNCCc2n1
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| InChI |
InChI=1S/C18H18N6OS/c1-11(2)25-16-4-3-12(7-13(16)8-19)17-21-22-18(26-17)24-10-14-9-20-6-5-15(14)23-24/h3-4,7,10-11,20H,5-6,9H2,1-2H3
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| InChIKey |
UURDHKTUSWWFEM-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