General Information of the Compound
| Compound ID |
CP0519180
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| Compound Name |
N-[[6-(1,5-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
Cc1c(cnn1C)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C22H28N6O2/c1-15-19(12-25-26(15)2)20(29)27-7-4-22(5-8-27)9-18(22)11-24-21(30)28-13-16-3-6-23-10-17(16)14-28/h3,6,10,12,18H,4-5,7-9,11,13-14H2,1-2H3,(H,24,30)
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| InChIKey |
CWEANAMMJQOLMQ-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