General Information of the Compound
| Compound ID |
CP0577780
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| Compound Name |
US8993565, 7
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| Structure |
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| Formula |
C14H16N4O3S
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| Molecular Weight |
320.374
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccsc1
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| InChI |
InChI=1S/C14H16N4O3S/c19-13(15-10-1-6-22-9-10)7-11-16-12(8-14(20)17-11)18-2-4-21-5-3-18/h1,6,8-9H,2-5,7H2,(H,15,19)(H,16,17,20)
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| InChIKey |
ZBKIVGSUUWWODP-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