General Information of the Compound
| Compound ID |
CP0463717
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| Compound Name |
N-[2-(1H-indol-3-yl)ethyl]-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H27F3N6O
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| Molecular Weight |
484.526
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCCc1c[nH]c2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6O/c1-29-11-12-30-15-17-5-4-6-19(13-17)34-22(14-23(33-34)25(26,27)28)24(35)31-10-9-18-16-32-21-8-3-2-7-20(18)21/h2-8,13-14,16,29-30,32H,9-12,15H2,1H3,(H,31,35)
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| InChIKey |
CTIJHIXSHKHOPF-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