General Information of the Compound
| Compound ID |
CP0516995
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| Compound Name |
4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-3-(3,3,4-trimethylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C27H30FN5O2
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| Molecular Weight |
475.568
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| Canonical SMILES |
COc1cc2c(c(F)c1N1CCN(C)C(C)(C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C27H30FN5O2/c1-15(2)33-23-18(25(34)21-17-8-7-16(13-29)11-19(17)30-26(21)33)12-20(35-6)24(22(23)28)32-10-9-31(5)27(3,4)14-32/h7-8,11-12,15,30H,9-10,14H2,1-6H3
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| InChIKey |
VAZZDKCQLBSMMO-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