General Information of the Compound
| Compound ID |
CP0385904
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| Compound Name |
4-[2-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]ethyl]morpholine
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| Structure |
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| Formula |
C20H24ClN5O2S
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| Molecular Weight |
433.965
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-c1cnn(CCN2CCOCC2)c1
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| InChI |
InChI=1S/C20H24ClN5O2S/c1-14(2)28-18-4-3-15(11-17(18)21)19-23-24-20(29-19)16-12-22-26(13-16)6-5-25-7-9-27-10-8-25/h3-4,11-14H,5-10H2,1-2H3
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| InChIKey |
XQGOQBVMJLJLRV-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