General Information of the Compound
| Compound ID |
CP0448652
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| Compound Name |
2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-fluorobenzoic acid
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| Structure |
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| Formula |
C22H15FN2O4
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| Molecular Weight |
390.37
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| Canonical SMILES |
Cc1cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c2c1N
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| InChI |
InChI=1S/C22H15FN2O4/c1-10-8-16(25-15-7-6-11(23)9-14(15)22(28)29)17-18(19(10)24)21(27)13-5-3-2-4-12(13)20(17)26/h2-9,25H,24H2,1H3,(H,28,29)
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| InChIKey |
BULNEEBWYIZDTB-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