General Information of the Compound
| Compound ID |
CP0879865
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| Compound Name |
SID99360397
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| Structure |
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| Formula |
C16H22O2
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| Molecular Weight |
246.35
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| Canonical SMILES |
CC1(C)CC(=O)C=C(C#CC2(O)CCCCC2)C1
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| InChI |
InChI=1S/C16H22O2/c1-15(2)11-13(10-14(17)12-15)6-9-16(18)7-4-3-5-8-16/h10,18H,3-5,7-8,11-12H2,1-2H3
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| InChIKey |
PYNFTEAWDMDLED-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8