General Information of the Compound
| Compound ID |
CP0252857
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| Compound Name |
(4Z)-4-[[4-[(2,6-difluorophenyl)methoxy]-1-methylindol-3-yl]methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one
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| Structure |
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| Formula |
C23H16F2N4O2S
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| Molecular Weight |
450.47
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| Canonical SMILES |
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3c(F)cccc3F)cccc12
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| InChI |
InChI=1S/C23H16F2N4O2S/c1-29-11-13(10-14-21(27-28-22(14)30)23-26-8-9-32-23)20-18(29)6-3-7-19(20)31-12-15-16(24)4-2-5-17(15)25/h2-11H,12H2,1H3,(H,28,30)/b14-10-
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| InChIKey |
XPAOOOJKWIMGKA-UVTDQMKNSA-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