General Information of the Compound
| Compound ID |
CP0312254
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| Compound Name |
US9120756, 17
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| Synonyms |
PMID25666693-Compound-41
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| Structure |
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| Formula |
C24H28ClFN4O3S
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| Molecular Weight |
507.031
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| Canonical SMILES |
C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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| InChIKey |
WVJARZWJWNGZDX-HNNXBMFYSA-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Clinical Information about the Compound
Drug 1 ( PMID25666693-Compound-41 )
| Drug Name | PMID25666693-Compound-41 | ||
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| Company | GRENTHAL GMBH FRANK, Robert BAHRENBERG, Gregor CHRISTOPH, Thomas SCHIENE, Klaus DE VRY, Jean DAMANN, Nils FRORMANN, Sven LESCH, Bernhard LEE, Jeewoo KIM, Yong-Soo KIM, Myeon-Seop | ||
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