General Information of the Compound
| Compound ID |
CP0329966
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| Compound Name |
methyl 1-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C22H18FN3O4
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| Molecular Weight |
407.401
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| Canonical SMILES |
COC(=O)C1CCCN1Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
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| InChI |
InChI=1S/C22H18FN3O4/c1-30-22(29)18-3-2-8-25(18)11-12-4-6-16-14(9-12)21(28)26-17-7-5-13(23)10-15(17)19(27)20(26)24-16/h4-7,9-10,18H,2-3,8,11H2,1H3
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| InChIKey |
WGCWHZSIAJDMBO-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