General Information of the Compound
| Compound ID |
CP0535291
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| Compound Name |
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H25F4N5O2
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| Molecular Weight |
479.478
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1cc(F)ccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C23H25F4N5O2/c1-28-8-9-29-13-15-4-3-5-18(10-15)32-19(12-21(31-32)23(25,26)27)22(33)30-14-16-11-17(24)6-7-20(16)34-2/h3-7,10-12,28-29H,8-9,13-14H2,1-2H3,(H,30,33)
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| InChIKey |
BWVNEUKPDZHUIO-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