General Information of the Compound
| Compound ID |
CP0508369
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C25H22FN5O
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| Molecular Weight |
427.483
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2nn[nH]n2)cc1
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| InChI |
InChI=1S/C25H22FN5O/c1-25(19-5-2-17(3-6-19)4-13-24-27-29-30-28-24)23-12-11-22(32)16-18(23)14-15-31(25)21-9-7-20(26)8-10-21/h2-13,16,32H,14-15H2,1H3,(H,27,28,29,30)/b13-4+
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| InChIKey |
XTAIIHMALFWPCY-YIXHJXPBSA-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