General Information of the Compound
| Compound ID |
CP0732728
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| Compound Name |
SID49733776
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| Structure |
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| Formula |
C20H18N4O5S
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| Molecular Weight |
426.454
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| Canonical SMILES |
O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc([N+](=O)[O-])o1
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| InChI |
InChI=1S/C20H18N4O5S/c25-19(16-7-8-18(29-16)24(27)28)21-14-3-5-15(6-4-14)22-9-11-23(12-10-22)20(26)17-2-1-13-30-17/h1-8,13H,9-12H2,(H,21,25)
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| InChIKey |
AWNQFKUYKLDTCI-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