General Information of the Compound
| Compound ID |
CP0569109
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| Compound Name |
3-chloro-4-[1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrrole-2,5-dione
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| Structure |
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| Formula |
C18H14ClF3N4O2
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| Molecular Weight |
410.783
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| Canonical SMILES |
FC(F)(F)c1ccccc1Cn1ncc2CN(CCc12)C1=C(Cl)C(=O)NC1=O
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| InChI |
InChI=1S/C18H14ClF3N4O2/c19-14-15(17(28)24-16(14)27)25-6-5-13-11(8-25)7-23-26(13)9-10-3-1-2-4-12(10)18(20,21)22/h1-4,7H,5-6,8-9H2,(H,24,27,28)
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| InChIKey |
IJXHOYVJEHPJED-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