General Information of the Compound
| Compound ID |
CP0129689
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| Compound Name |
4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-(imidazo[1,2-b]pyridazin-3-ylmethylamino)-4-methylphenyl]-3-(trifluoromethyl)benzamide
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| Formula |
C29H32F3N7O
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| Molecular Weight |
551.617
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| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4cccnn34)c2)CC1
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| InChI |
InChI=1S/C29H32F3N7O/c1-3-37-11-13-38(14-12-37)19-22-8-7-21(15-25(22)29(30,31)32)28(40)36-23-9-6-20(2)26(16-23)33-17-24-18-34-27-5-4-10-35-39(24)27/h4-10,15-16,18,33H,3,11-14,17,19H2,1-2H3,(H,36,40)
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| InChIKey |
HBBUWQLBIADUBO-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