General Information of the Compound
| Compound ID |
CP0556653
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| Compound Name |
3-methyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H18F3N3O2
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| Molecular Weight |
401.388
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| Canonical SMILES |
Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
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| InChI |
InChI=1S/C21H18F3N3O2/c1-12-8-16(11-17(9-12)21(22,23)24)18(28)25-20-27-26-19(29-20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11H,2-5H2,1H3,(H,25,27,28)
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| InChIKey |
NFHYRDLQVJCKIG-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: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8