General Information of the Compound
| Compound ID |
CP0564565
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide
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| Structure |
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| Formula |
C20H24N6O
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| Molecular Weight |
364.453
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| Canonical SMILES |
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2ncccc12
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| InChI |
InChI=1S/C20H24N6O/c27-18(22-20-17-7-4-9-21-19(17)23-24-20)8-10-25-11-13-26(14-12-25)15-16-5-2-1-3-6-16/h1-7,9H,8,10-15H2,(H2,21,22,23,24,27)
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| InChIKey |
KDMZZYWXGOGWFK-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