General Information of the Compound
| Compound ID |
CP0447304
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-[4-[(E)-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C26H24FN5O
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| Molecular Weight |
441.51
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| Canonical SMILES |
Cn1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)n1
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| InChI |
InChI=1S/C26H24FN5O/c1-26(20-6-3-18(4-7-20)5-14-25-28-30-31(2)29-25)24-13-12-23(33)17-19(24)15-16-32(26)22-10-8-21(27)9-11-22/h3-14,17,33H,15-16H2,1-2H3/b14-5+
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| InChIKey |
FQDAASKIRVVQSS-LHHJGKSTSA-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