General Information of the Compound
| Compound ID |
CP0244352
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| Compound Name |
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
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| Structure |
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| Formula |
C26H27ClN8
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| Molecular Weight |
487.011
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| Canonical SMILES |
CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2)CC1
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| InChI |
InChI=1S/C26H27ClN8/c1-34-11-9-17(10-12-34)15-28-22-14-24(27)33-35-23(16-29-25(22)35)18-7-8-20-21(13-18)32-26(31-20)30-19-5-3-2-4-6-19/h2-8,13-14,16-17,28H,9-12,15H2,1H3,(H2,30,31,32)
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| InChIKey |
VHXCQODYJMKKPV-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