General Information of the Compound
| Compound ID |
CP0572559
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| Compound Name |
US8772323, 174
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CCC[C@H]1[C@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C22H23N3O3/c1-4-5-17-13(2)20(24-25-21(17)26)15-8-11-18-19(12-15)28-22(23-18)14-6-9-16(27-3)10-7-14/h6-13,17H,4-5H2,1-3H3,(H,25,26)/t13-,17-/m0/s1
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| InChIKey |
XFNUQKCSQIPXRS-GUYCJALGSA-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