General Information of the Compound
| Compound ID |
CP0035349
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| Compound Name |
2-(2-pyridin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-4-one
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| Structure |
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| Formula |
C20H20N6O
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| Molecular Weight |
360.421
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| Canonical SMILES |
O=C1NCC2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
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| InChI |
InChI=1S/C20H20N6O/c27-19-14-9-16(25-17(14)20(12-24-19)5-2-7-22-11-20)15-4-8-23-18(26-15)13-3-1-6-21-10-13/h1,3-4,6,8-10,22,25H,2,5,7,11-12H2,(H,24,27)
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| InChIKey |
JCLSXGVSKDLMEO-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