General Information of the Compound
| Compound ID |
CP0388564
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| Compound Name |
methyl 1-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C23H20FN3O4
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| Molecular Weight |
421.428
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| Canonical SMILES |
COC(=O)C1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
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| InChI |
InChI=1S/C23H20FN3O4/c1-31-23(30)14-6-8-26(9-7-14)12-13-2-4-18-16(10-13)22(29)27-19-5-3-15(24)11-17(19)20(28)21(27)25-18/h2-5,10-11,14H,6-9,12H2,1H3
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| InChIKey |
NUOMVFPVKSHIDX-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