General Information of the Compound
| Compound ID |
CP0341828
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| Compound Name |
1-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-2-yl)methyl]piperidine-3-carboxylic acid
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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 |
OC(=O)C1CCCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)C1
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| InChI |
InChI=1S/C22H18FN3O4/c23-14-4-6-18-16(9-14)19(27)20-24-17-5-3-12(8-15(17)21(28)26(18)20)10-25-7-1-2-13(11-25)22(29)30/h3-6,8-9,13H,1-2,7,10-11H2,(H,29,30)
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| InChIKey |
SPABJWKOIWCDAS-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