General Information of the Compound
| Compound ID |
CP0411900
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| Compound Name |
1-Isobutyl-3-methyl-6-naphthalen-1-ylmethyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
CC(C)Cn1c2cn(Cc3cccc4ccccc34)cc2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C22H23N3O2/c1-15(2)11-25-20-14-24(13-19(20)21(26)23(3)22(25)27)12-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,13-15H,11-12H2,1-3H3
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| InChIKey |
HSGYYWSMLDCHQO-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