General Information of the Compound
| Compound ID |
CP0575035
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| Compound Name |
3-(3,3-dimethylpiperazin-1-yl)-4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C26H28FN5O2
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| Molecular Weight |
461.541
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| Canonical SMILES |
COc1cc2c(c(F)c1N1CCNC(C)(C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C26H28FN5O2/c1-14(2)32-22-17(24(33)20-16-7-6-15(12-28)10-18(16)30-25(20)32)11-19(34-5)23(21(22)27)31-9-8-29-26(3,4)13-31/h6-7,10-11,14,29-30H,8-9,13H2,1-5H3
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| InChIKey |
OHTBDNXLPXHGBS-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