General Information of the Compound
| Compound ID |
CP0205434
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| Compound Name |
CHEMBL3828515
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| Structure |
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| Formula |
C20H20N4O3S
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| Molecular Weight |
396.472
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| Canonical SMILES |
CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3=CC=C=C=c3o2)c(O)c1
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| InChI |
InChI=1S/C20H20N4O3S/c1-3-24(4-2)15-10-9-14(17(25)11-15)12-21-23-19(26)13-28-20-22-16-7-5-6-8-18(16)27-20/h5,7,9-12,25H,3-4,13H2,1-2H3,(H,23,26)/b21-12+
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| InChIKey |
JDXRZXIVOQTZJY-CIAFOILYSA-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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