General Information of the Compound
| Compound ID |
CP0337962
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| Compound Name |
1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluoromethylphenyl-(S)-pyrrolidin-3-ylamino)propan-1-one
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| Structure |
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| Formula |
C22H20F3N3O3S
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| Molecular Weight |
463.481
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| Canonical SMILES |
[O-][N+](=O)c1ccc(N2CC[C@@H](C2)NCCC(=O)c2csc3ccccc23)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N3O3S/c23-22(24,25)18-11-15(28(30)31)5-6-19(18)27-10-8-14(12-27)26-9-7-20(29)17-13-32-21-4-2-1-3-16(17)21/h1-6,11,13-14,26H,7-10,12H2/t14-/m0/s1
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| InChIKey |
QUZXJJNRZJWDOO-AWEZNQCLSA-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