General Information of the Compound
| Compound ID |
CP0910334
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| Compound Name |
N-[4-(3-Methoxy-phenyl)-benzo[b]thiophene-2-carbonyl]-guanidine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C18H19N3O5S2
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| Molecular Weight |
421.5
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| Canonical SMILES |
COc1cccc(-c2cccc3sc(C(=O)N=C(N)N)cc23)c1.CS(=O)(=O)O
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| InChI |
InChI=1S/C17H15N3O2S.CH4O3S/c1-22-11-5-2-4-10(8-11)12-6-3-7-14-13(12)9-15(23-14)16(21)20-17(18)19;1-5(2,3)4/h2-9H,1H3,(H4,18,19,20,21);1H3,(H,2,3,4)
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| InChIKey |
ICPWNBVXKSHRAE-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