General Information of the Compound
| Compound ID |
CP0359319
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| Compound Name |
1-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C21H16FN3O4
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| Molecular Weight |
393.374
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| Canonical SMILES |
OC(=O)C1CCCN1Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
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| InChI |
InChI=1S/C21H16FN3O4/c22-12-4-6-16-14(9-12)18(26)19-23-15-5-3-11(8-13(15)20(27)25(16)19)10-24-7-1-2-17(24)21(28)29/h3-6,8-9,17H,1-2,7,10H2,(H,28,29)
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| InChIKey |
YSICVYUWJXXHSW-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