General Information of the Compound
| Compound ID |
CP0579815
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| Compound Name |
1-[4-[2-(1H-benzimidazol-2-yl)pyridin-3-yl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
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| Structure |
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| Formula |
C24H22N8O
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| Molecular Weight |
438.495
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| Canonical SMILES |
O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1cccnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H22N8O/c33-21(15-32-16-27-19-7-3-10-26-24(19)32)31-13-11-30(12-14-31)20-8-4-9-25-22(20)23-28-17-5-1-2-6-18(17)29-23/h1-10,16H,11-15H2,(H,28,29)
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| InChIKey |
SNKCPHWBRAKKNP-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