General Information of the Compound
| Compound ID |
CP0409263
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| Compound Name |
2-(3-chloro-4-propan-2-yloxyphenyl)-5-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C17H18ClN5OS
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| Molecular Weight |
375.885
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1ncc2CNCCc12
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| InChI |
InChI=1S/C17H18ClN5OS/c1-10(2)24-15-4-3-11(7-13(15)18)16-21-22-17(25-16)23-14-5-6-19-8-12(14)9-20-23/h3-4,7,9-10,19H,5-6,8H2,1-2H3
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| InChIKey |
QDNXARUVGCWLCG-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