General Information of the Compound
| Compound ID |
CP0378092
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| Compound Name |
(4-methylpiperazin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C13H16N4O
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| Molecular Weight |
244.298
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2cccnc2[nH]1
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| InChI |
InChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13(18)11-9-10-3-2-4-14-12(10)15-11/h2-4,9H,5-8H2,1H3,(H,14,15)
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| InChIKey |
MKMUUKGWFRDCJE-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