General Information of the Compound
| Compound ID |
CP0894760
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| Compound Name |
(S)-3-((dimethylamino)methyl)-N-((6-fluoro-3'-((3-methylpiperazin-1-yl)methyl)biphenyl-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C29H35FN4O
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| Molecular Weight |
474.624
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN(C)C)c4)ccc3F)c2)CCN1
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| InChI |
InChI=1S/C29H35FN4O/c1-21-18-34(13-12-31-21)20-24-7-4-8-25(14-24)27-16-22(10-11-28(27)30)17-32-29(35)26-9-5-6-23(15-26)19-33(2)3/h4-11,14-16,21,31H,12-13,17-20H2,1-3H3,(H,32,35)/t21-/m0/s1
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| InChIKey |
PXKKBPAWILJYFB-NRFANRHFSA-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