General Information of the Compound
| Compound ID |
CP0401922
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| Compound Name |
[9-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1
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| InChI |
InChI=1S/C25H31N3O2/c1-19-17-21-3-2-4-22(23(21)30-19)18-27-13-7-25(8-14-27)9-15-28(16-10-25)24(29)20-5-11-26-12-6-20/h2-6,11-12,19H,7-10,13-18H2,1H3
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| InChIKey |
JQIOFPJNEBMYKB-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