General Information of the Compound
| Compound ID |
CP0527168
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| Compound Name |
N-[(2-aminophenyl)methyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H25F3N6O
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| Molecular Weight |
446.477
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1N)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N6O/c1-27-9-10-28-13-15-5-4-7-17(11-15)31-19(12-20(30-31)22(23,24)25)21(32)29-14-16-6-2-3-8-18(16)26/h2-8,11-12,27-28H,9-10,13-14,26H2,1H3,(H,29,32)
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| InChIKey |
MWQMYWYAOGIVAO-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