General Information of the Compound
| Compound ID |
CP0547188
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| Compound Name |
(1S,3S)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C23H20F2N2O3
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| Molecular Weight |
410.42
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| Canonical SMILES |
Oc1cc2C[C@H](N[C@@H](c3ccc(F)cc3)c2cc1O)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C23H20F2N2O3/c24-16-5-1-13(2-6-16)12-26-23(30)19-9-15-10-20(28)21(29)11-18(15)22(27-19)14-3-7-17(25)8-4-14/h1-8,10-11,19,22,27-29H,9,12H2,(H,26,30)/t19-,22-/m0/s1
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| InChIKey |
MMSMAYYGCMYOPA-UGKGYDQZSA-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