General Information of the Compound
| Compound ID |
CP0176165
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| Compound Name |
4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[(6-methoxyimidazo[1,2-b]pyridazin-3-yl)methylamino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Formula |
C30H34F3N7O2
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| Molecular Weight |
581.643
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4ccc(OC)nn34)c2)CC1
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| InChI |
InChI=1S/C30H34F3N7O2/c1-4-38-11-13-39(14-12-38)19-22-7-6-21(15-25(22)30(31,32)33)29(41)36-23-8-5-20(2)26(16-23)34-17-24-18-35-27-9-10-28(42-3)37-40(24)27/h5-10,15-16,18,34H,4,11-14,17,19H2,1-3H3,(H,36,41)
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| InChIKey |
TWDGYFACSVLNHX-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