General Information of the Compound
| Compound ID |
CP0516997
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| Compound Name |
4-fluoro-3-(4-methylpiperazin-1-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 |
C24H24FN5O
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| Molecular Weight |
417.488
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| Canonical SMILES |
CC(C)n1c2[nH]c3cc(ccc3c2c(=O)c2ccc(N3CCN(C)CC3)c(F)c12)C#N
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| InChI |
InChI=1S/C24H24FN5O/c1-14(2)30-22-17(6-7-19(21(22)25)29-10-8-28(3)9-11-29)23(31)20-16-5-4-15(13-26)12-18(16)27-24(20)30/h4-7,12,14,27H,8-11H2,1-3H3
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| InChIKey |
LGVFDBFWIDLWED-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