General Information of the Compound
| Compound ID |
CP0447303
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| Compound Name |
2-(4-fluorophenyl)-1-[4-[(E)-2-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]ethenyl]phenyl]-1-methyl-3,4-dihydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H24FN3O3
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| Molecular Weight |
457.505
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2nnc(CO)o2)cc1
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| InChI |
InChI=1S/C27H24FN3O3/c1-27(20-5-2-18(3-6-20)4-13-25-29-30-26(17-32)34-25)24-12-11-23(33)16-19(24)14-15-31(27)22-9-7-21(28)8-10-22/h2-13,16,32-33H,14-15,17H2,1H3/b13-4+
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| InChIKey |
JAWIDLAPCJNQSQ-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