General Information of the Compound
| Compound ID |
CP0400377
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H26F3N5O3
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| Molecular Weight |
489.498
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| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1cccc2OCCOc12)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N5O3/c1-28-8-9-29-14-16-4-2-6-18(12-16)32-19(13-21(31-32)24(25,26)27)23(33)30-15-17-5-3-7-20-22(17)35-11-10-34-20/h2-7,12-13,28-29H,8-11,14-15H2,1H3,(H,30,33)
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| InChIKey |
CVJPIIHCIDASSV-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