General Information of the Compound
| Compound ID |
CP0960727
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| Compound Name |
N-[4-(2-Chloro-phenyl)-benzo[b]thiophene-2-carbonyl]-guanidine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C17H16ClN3O4S2
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| Molecular Weight |
425.919
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| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(-c3ccccc3Cl)cccc2s1
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| InChI |
InChI=1S/C16H12ClN3OS.CH4O3S/c17-12-6-2-1-4-10(12)9-5-3-7-13-11(9)8-14(22-13)15(21)20-16(18)19;1-5(2,3)4/h1-8H,(H4,18,19,20,21);1H3,(H,2,3,4)
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| InChIKey |
XOLXYAIORAYIKO-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