General Information of the Compound
| Compound ID |
CP0524129
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| Compound Name |
methyl 2-hydroxy-2-[2-(3-methylphenyl)ethynyl]-7-azaspiro[3.5]nonane-7-carboxylate
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
COC(=O)N1CCC2(CC(O)(C2)C#Cc2cccc(C)c2)CC1
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| InChI |
InChI=1S/C19H23NO3/c1-15-4-3-5-16(12-15)6-7-19(22)13-18(14-19)8-10-20(11-9-18)17(21)23-2/h3-5,12,22H,8-11,13-14H2,1-2H3
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| InChIKey |
ILNMYSGPLVXPRM-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