General Information of the Compound
| Compound ID |
CP0910321
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| Compound Name |
N-[4-(3-Trifluoromethyl-phenyl)-benzo[b]thiophene-2-carbonyl]-guanidine; compound with methanesulfonic acid
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| Structure |
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| Formula |
C18H16F3N3O4S2
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| Molecular Weight |
459.471
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| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(-c3cccc(C(F)(F)F)c3)cccc2s1
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| InChI |
InChI=1S/C17H12F3N3OS.CH4O3S/c18-17(19,20)10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14(25-13)15(24)23-16(21)22;1-5(2,3)4/h1-8H,(H4,21,22,23,24);1H3,(H,2,3,4)
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| InChIKey |
NWPOEVKJYSLIPF-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