General Information of the Compound
| Compound ID |
CP0578687
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| Compound Name |
1-[4-[4-(1H-benzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
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| Structure |
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| Formula |
C23H21N9O
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| Molecular Weight |
439.483
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| Canonical SMILES |
O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1nnccc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H21N9O/c33-20(14-32-15-25-19-6-3-8-24-23(19)32)30-10-12-31(13-11-30)22-16(7-9-26-29-22)21-27-17-4-1-2-5-18(17)28-21/h1-9,15H,10-14H2,(H,27,28)
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| InChIKey |
HJKDMTJWHCXJHY-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