General Information of the Compound
| Compound ID |
CP0950696
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| Compound Name |
5-Methyl-isoxazole-3-carboxylic acid 2-(9-chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]quinolin-5-yl)-benzylamide
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| Structure |
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| Formula |
C23H17ClN4O4
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| Molecular Weight |
448.866
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| Canonical SMILES |
Cc1cc(C(=O)NCc2ccccc2-n2c(=O)c3c(C)onc3c3c(Cl)cccc32)no1
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| InChI |
InChI=1S/C23H17ClN4O4/c1-12-10-16(26-31-12)22(29)25-11-14-6-3-4-8-17(14)28-18-9-5-7-15(24)20(18)21-19(23(28)30)13(2)32-27-21/h3-10H,11H2,1-2H3,(H,25,29)
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| InChIKey |
FDUSAXPFANNETG-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