General Information of the Compound
| Compound ID |
CP0496217
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| Compound Name |
3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
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| Structure |
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| Formula |
C15H19N3O
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| Molecular Weight |
257.337
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| Canonical SMILES |
Cc1ccc(cc1C)C1=NC2(CCNCC2)NC1=O
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| InChI |
InChI=1S/C15H19N3O/c1-10-3-4-12(9-11(10)2)13-14(19)18-15(17-13)5-7-16-8-6-15/h3-4,9,16H,5-8H2,1-2H3,(H,18,19)
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| InChIKey |
KYEKMSKLQUJHLS-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