General Information of the Compound
| Compound ID |
CP0537182
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| Compound Name |
4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-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 |
C29H32FN5O3
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| Molecular Weight |
517.605
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| Canonical SMILES |
COc1cc2c(c(F)c1N1CCC(CC1)N1CCOCC1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C29H32FN5O3/c1-17(2)35-26-21(28(36)24-20-5-4-18(16-31)14-22(20)32-29(24)35)15-23(37-3)27(25(26)30)34-8-6-19(7-9-34)33-10-12-38-13-11-33/h4-5,14-15,17,19,32H,6-13H2,1-3H3
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| InChIKey |
AQWSSLUSWIRCGY-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