General Information of the Compound
| Compound ID |
CP0395652
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| Compound Name |
2-(5-methoxypyridin-2-yl)-1-[2-[(1R)-5-pyrimidin-4-yl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ccncn3)CC2)nc1
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| InChI |
InChI=1S/C28H31N5O2/c1-35-23-5-4-22(30-16-23)15-27(34)32-12-9-28(10-13-32)17-33(18-28)26-7-3-20-14-21(2-6-24(20)26)25-8-11-29-19-31-25/h2,4-6,8,11,14,16,19,26H,3,7,9-10,12-13,15,17-18H2,1H3/t26-/m1/s1
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| InChIKey |
CSNLTDSMWBAFOG-AREMUKBSSA-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