General Information of the Compound
| Compound ID |
CP0562774
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| Compound Name |
4-fluoro-2-methoxy-3-[1-(oxan-4-yl)piperidin-4-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C30H33FN4O3
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| Molecular Weight |
516.617
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| Canonical SMILES |
COc1cc2c(c(F)c1C1CCN(CC1)C1CCOCC1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C30H33FN4O3/c1-17(2)35-28-22(29(36)26-21-5-4-18(16-32)14-23(21)33-30(26)35)15-24(37-3)25(27(28)31)19-6-10-34(11-7-19)20-8-12-38-13-9-20/h4-5,14-15,17,19-20,33H,6-13H2,1-3H3
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| InChIKey |
WJTWXLSZXQYDDG-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