General Information of the Compound
| Compound ID |
CP0015606
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| Compound Name |
4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol
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| Synonyms |
Sphingosine kinase inhibitor (vascular disease)
Sphingosine kinase inhibitor (vascular disease), University of Virgina
VPC-94075
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| Structure |
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| Formula |
C15H11ClN2OS
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| Molecular Weight |
302.786
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| Canonical SMILES |
Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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| InChIKey |
ZFGXZJKLOFCECI-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: PT01766, Sphingosine kinase 1
Protein ID: PT03502, Sphingosine kinase 2
Protein ID: PT01765, Sphingosine kinase 2
Protein ID: PT02021, Transitional endoplasmic reticulum ATPase
Clinical Information about the Compound