General Information of the Compound
| Compound ID |
CP0189218
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| Compound Name |
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
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| Formula |
C29H30F3N7O2
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| Molecular Weight |
565.6
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cccnn45)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H30F3N7O2/c1-3-37-11-13-38(14-12-37)18-21-8-9-22(16-23(21)29(30,31)32)35-27(40)20-7-6-19(2)24(15-20)36-28(41)25-17-33-26-5-4-10-34-39(25)26/h4-10,15-17H,3,11-14,18H2,1-2H3,(H,35,40)(H,36,41)
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| InChIKey |
DOPLBFVDQUJYBT-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