General Information of the Compound
| Compound ID |
CP0257705
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-1-(6-oxo-1H-pyrimidin-2-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C30H28N6O3
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| Molecular Weight |
520.593
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1nccc(=O)[nH]1
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| InChI |
InChI=1S/C30H28N6O3/c1-21-6-5-16-31-25(21)20-34-18-14-30(15-19-34)27(38)35(29(39)36(30)28-32-17-13-26(37)33-28)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-20H2,1H3,(H,32,33,37)
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| InChIKey |
CXBWIISLEGGOOQ-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