General Information of the Compound
| Compound ID |
CP0099526
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| Compound Name |
AC-55649
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| Synonyms |
AC 55649
AC-55649
AC55649
PMID27336223-Compound-8
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| Structure |
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| Formula |
C21H26O2
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| Molecular Weight |
310.437
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| Canonical SMILES |
CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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| InChIKey |
HXBKPYIEQLLNBK-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound