General Information of the Compound
| Compound ID |
CP0495241
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| Compound Name |
4-chloro-N-(cyclopropylmethyl)-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
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| Structure |
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| Formula |
C19H15ClFN3OS
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| Molecular Weight |
387.867
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| Canonical SMILES |
Fc1cccc(c1)-c1nnc(s1)N(CC1CC1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H15ClFN3OS/c20-15-8-6-13(7-9-15)18(25)24(11-12-4-5-12)19-23-22-17(26-19)14-2-1-3-16(21)10-14/h1-3,6-10,12H,4-5,11H2
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| InChIKey |
NYJULCLWUPJDSH-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