General Information of the Compound
| Compound ID |
CP0432411
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| Compound Name |
[5-(carbamimidoylsulfanylmethyl)acridin-4-yl]methyl carbamimidothioate
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| Structure |
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| Formula |
C17H17N5S2
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| Molecular Weight |
355.492
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| Canonical SMILES |
NC(=N)SCc1cccc2cc3cccc(CSC(N)=N)c3nc12
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| InChI |
InChI=1S/C17H17N5S2/c18-16(19)23-8-12-5-1-3-10-7-11-4-2-6-13(9-24-17(20)21)15(11)22-14(10)12/h1-7H,8-9H2,(H3,18,19)(H3,20,21)
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| InChIKey |
DXUPGDWGOABSDH-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