General Information of the Compound
| Compound ID |
CP0568438
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| Compound Name |
4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C28H31FN4O2
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| Molecular Weight |
474.58
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| Canonical SMILES |
COc1cc2c(c(F)c1C1CCN(CC1)C(C)C)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C28H31FN4O2/c1-15(2)32-10-8-18(9-11-32)23-22(35-5)13-20-26(25(23)29)33(16(3)4)28-24(27(20)34)19-7-6-17(14-30)12-21(19)31-28/h6-7,12-13,15-16,18,31H,8-11H2,1-5H3
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| InChIKey |
VDWMGRKLSRZHDJ-UHFFFAOYSA-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