General Information of the Compound
| Compound ID |
CP0966854
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| Compound Name |
(S)-4-Fluoro-5-isopropyl-2-methoxy-3-(3-methylpiperazin-1-yl)-11-oxo-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C25H26FN5O2
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| Molecular Weight |
447.514
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| Canonical SMILES |
COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN[C@@H](C)C1
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| InChI |
InChI=1S/C25H26FN5O2/c1-13(2)31-22-17(10-19(33-4)23(21(22)26)30-8-7-28-14(3)12-30)24(32)20-16-6-5-15(11-27)9-18(16)29-25(20)31/h5-6,9-10,13-14,28-29H,7-8,12H2,1-4H3/t14-/m0/s1
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| InChIKey |
IWDGEMCAGXBOIK-AWEZNQCLSA-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