General Information of the Compound
| Compound ID |
CP0869087
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| Compound Name |
3a-Ethynyl-1,1-dimethyl-6-oxo-2,3,3a,6-tetrahydro-1H-indene-5-carbonitrile
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| Structure |
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| Formula |
C14H13NO
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| Molecular Weight |
211.264
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| Canonical SMILES |
C#CC12C=C(C#N)C(=O)C=C1C(C)(C)CC2
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| InChI |
InChI=1S/C14H13NO/c1-4-14-6-5-13(2,3)12(14)7-11(16)10(8-14)9-15/h1,7-8H,5-6H2,2-3H3
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| InChIKey |
SGUQBHILIIKLEZ-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