General Information of the Compound
| Compound ID |
CP0864691
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| Compound Name |
SID131447151
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| Structure |
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| Formula |
C22H21FN2O2
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| Molecular Weight |
364.42
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| Canonical SMILES |
N#C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCC1
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| InChI |
InChI=1S/C22H21FN2O2/c23-18-7-2-1-6-17(18)14-8-10-15(11-9-14)21-19(12-24)25(20(21)13-26)22(27)16-4-3-5-16/h1-2,6-11,16,19-21,26H,3-5,13H2/t19-,20-,21-/m1/s1
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| InChIKey |
SZGIAZFJUSIEGL-NJDAHSKKSA-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