General Information of the Compound
| Compound ID |
CP0917583
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| Compound Name |
N-[4-(3,5-Difluoro-phenyl)-benzo[b]thiophene-2-carbonyl]-guanidine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C17H15F2N3O4S2
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| Molecular Weight |
427.454
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| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(-c3cc(F)cc(F)c3)cccc2s1
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| InChI |
InChI=1S/C16H11F2N3OS.CH4O3S/c17-9-4-8(5-10(18)6-9)11-2-1-3-13-12(11)7-14(23-13)15(22)21-16(19)20;1-5(2,3)4/h1-7H,(H4,19,20,21,22);1H3,(H,2,3,4)
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| InChIKey |
GRZMASRHZFRMAQ-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