General Information of the Compound
| Compound ID |
CP0161514
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| Compound Name |
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methylpyridin-3-yl)pyridazin-3-yl]acetamide
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| Structure |
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| Formula |
C22H22N6O3
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| Molecular Weight |
418.457
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| Canonical SMILES |
Cc1ccc(cn1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1
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| InChI |
InChI=1S/C22H22N6O3/c1-13-4-5-14(11-23-13)17-8-9-18(26-25-17)24-19(29)12-27-10-2-3-16-20(27)22(31)28(21(16)30)15-6-7-15/h4-5,8-9,11,15H,2-3,6-7,10,12H2,1H3,(H,24,26,29)
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| InChIKey |
AWFKDFGAFDJYLS-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