General Information of the Compound
| Compound ID |
CP0430012
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| Compound Name |
3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)triazolo[4,5-b]pyridine-6-carboxylic acid
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| Structure |
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| Formula |
C21H24N4O2
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| Molecular Weight |
364.449
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| Canonical SMILES |
Cc1cc2c(cc1-n1nnc3cc(cnc13)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C21H24N4O2/c1-12-8-14-15(21(4,5)7-6-20(14,2)3)10-17(12)25-18-16(23-24-25)9-13(11-22-18)19(26)27/h8-11H,6-7H2,1-5H3,(H,26,27)
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| InChIKey |
BTGXHJYASHRQBD-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