General Information of the Compound
| Compound ID |
CP0509886
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| Compound Name |
5-Methyl-isoxazole-3-carboxylic acid [(1R,2R)-6-(9-chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]quinolin-5-yl)-2-hydroxy-indan-1-yl]-amide
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| Structure |
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| Formula |
C25H19ClN4O5
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| Molecular Weight |
490.903
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| Canonical SMILES |
Cc1cc(no1)C(=O)N[C@H]1[C@H](O)Cc2ccc(cc12)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
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| InChI |
InChI=1S/C25H19ClN4O5/c1-11-8-17(28-34-11)24(32)27-22-15-10-14(7-6-13(15)9-19(22)31)30-18-5-3-4-16(26)21(18)23-20(25(30)33)12(2)35-29-23/h3-8,10,19,22,31H,9H2,1-2H3,(H,27,32)/t19-,22-/m1/s1
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| InChIKey |
RWXUAYIHZJBLNI-DENIHFKCSA-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