General Information of the Compound
| Compound ID |
CP0374580
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| Compound Name |
N-[[6-(2-pyrimidin-2-ylacetyl)-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 |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
O=C(Cc1ncccn1)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C22H26N6O2/c29-20(10-19-24-5-1-6-25-19)27-8-3-22(4-9-27)11-18(22)13-26-21(30)28-14-16-2-7-23-12-17(16)15-28/h1-2,5-7,12,18H,3-4,8-11,13-15H2,(H,26,30)
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| InChIKey |
WLKLXDXURPSKMP-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