General Information of the Compound
| Compound ID |
CP0950365
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| Compound Name |
SID144194030
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| Formula |
C25H24FN3O2
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| Molecular Weight |
417.484
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| Canonical SMILES |
COc1ccc(-c2ccc([C@@H]3[C@@H]4CN(C(=O)Nc5cccc(F)c5)C[C@H]3N4)cc2)cc1
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| InChI |
InChI=1S/C25H24FN3O2/c1-31-21-11-9-17(10-12-21)16-5-7-18(8-6-16)24-22-14-29(15-23(24)28-22)25(30)27-20-4-2-3-19(26)13-20/h2-13,22-24,28H,14-15H2,1H3,(H,27,30)/t22-,23+,24+
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| InChIKey |
MLSDHESDAOVLFZ-UBRQYEGLSA-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