General Information of the Compound
| Compound ID |
CP0050440
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| Compound Name |
US9428466, Merbarone
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| Synonyms |
Merbarone
NSC-336628
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| Structure |
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| Formula |
C11H9N3O3S
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| Molecular Weight |
263.278
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| Canonical SMILES |
O=C(Nc1ccccc1)C1C(=O)NC(=S)NC1=O
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| InChI |
InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)
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| InChIKey |
JARCFMKMOFFIGZ-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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Clinical Information about the Compound