General Information of the Compound
| Compound ID |
CP0437931
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| Compound Name |
6-Hydroxy-5,7,9-trimethyl-beta-carboline
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| Structure |
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| Formula |
C14H14N2O
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| Molecular Weight |
226.279
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| Canonical SMILES |
Cc1cc2n(C)c3cnccc3c2c(C)c1O
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| InChI |
InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-15-7-12(10)16(11)3/h4-7,17H,1-3H3
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| InChIKey |
JCDJPCUBMGHYGU-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3