General Information of the Compound
| Compound ID |
CP0533545
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| Compound Name |
1-[2-chloro-5-(hydroxymethyl)pyridin-4-yl]-3-[3-(difluoromethyl)-1,2-thiazol-5-yl]urea
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| Structure |
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| Formula |
C11H9ClF2N4O2S
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| Molecular Weight |
334.735
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| Canonical SMILES |
OCc1cnc(Cl)cc1NC(=O)Nc1cc(ns1)C(F)F
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| InChI |
InChI=1S/C11H9ClF2N4O2S/c12-8-1-6(5(4-19)3-15-8)16-11(20)17-9-2-7(10(13)14)18-21-9/h1-3,10,19H,4H2,(H2,15,16,17,20)
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| InChIKey |
AVHFGSYJGSZHIC-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: PT03585, Probable global transcription activator SNF2L2
Protein ID: PT03301, Transcription activator BRG1