General Information of the Compound
| Compound ID |
CP0507340
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| Compound Name |
[6-(carbamimidoylsulfanylmethyl)phenoxathiin-4-yl]methyl carbamimidothioate
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| Structure |
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| Formula |
C16H16N4OS3
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| Molecular Weight |
376.532
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| Canonical SMILES |
NC(=N)SCc1cccc2Sc3cccc(CSC(N)=N)c3Oc12
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| InChI |
InChI=1S/C16H16N4OS3/c17-15(18)22-7-9-3-1-5-11-13(9)21-14-10(8-23-16(19)20)4-2-6-12(14)24-11/h1-6H,7-8H2,(H3,17,18)(H3,19,20)
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| InChIKey |
YPBKXBQJGRXXJQ-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