General Information of the Compound
| Compound ID |
CP0252240
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| Compound Name |
5-amino-1-(2,4-difluorophenyl)-N-[2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H27F5N4O2
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| Molecular Weight |
522.518
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| Canonical SMILES |
CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36)
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| InChIKey |
JQWWVWSTEMLGBL-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