General Information of the Compound
| Compound ID |
CP0536411
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| Compound Name |
N-(cyclohexylmethyl)-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H30F3N5O
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| Molecular Weight |
437.51
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCC1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C22H30F3N5O/c1-26-10-11-27-14-17-8-5-9-18(12-17)30-19(13-20(29-30)22(23,24)25)21(31)28-15-16-6-3-2-4-7-16/h5,8-9,12-13,16,26-27H,2-4,6-7,10-11,14-15H2,1H3,(H,28,31)
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| InChIKey |
QQZTVOYBNMHDNQ-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