General Information of the Compound
| Compound ID |
CP0445012
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| Compound Name |
1-phenyl-8-pyridin-4-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C19H22N4O
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| Molecular Weight |
322.412
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| Canonical SMILES |
O=C1NCN(c2ccccc2)C11CCN(Cc2ccncc2)CC1
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| InChI |
InChI=1S/C19H22N4O/c24-18-19(23(15-21-18)17-4-2-1-3-5-17)8-12-22(13-9-19)14-16-6-10-20-11-7-16/h1-7,10-11H,8-9,12-15H2,(H,21,24)
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| InChIKey |
GONMHEHEZZKZKL-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