General Information of the Compound
| Compound ID |
CP0387974
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| Compound Name |
methyl 10-hydroxy-10-[2-(3-methylphenyl)ethynyl]-1-azaspiro[5.5]undecane-1-carboxylate
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| Structure |
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| Formula |
C21H27NO3
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| Molecular Weight |
341.451
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| Canonical SMILES |
COC(=O)N1CCCCC11CCCC(O)(C1)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C21H27NO3/c1-17-7-5-8-18(15-17)9-13-21(24)12-6-11-20(16-21)10-3-4-14-22(20)19(23)25-2/h5,7-8,15,24H,3-4,6,10-12,14,16H2,1-2H3
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| InChIKey |
VRYXUAPULQXCIC-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