General Information of the Compound
| Compound ID |
CP0488554
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| Compound Name |
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzothiophene-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H24FN5O2S
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| Molecular Weight |
489.576
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| Canonical SMILES |
Cc1c(sc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C26H24FN5O2S/c1-17-19-6-2-5-9-22(19)35-24(17)25(33)29-18-10-11-23(28-16-18)31-12-14-32(15-13-31)26(34)30-21-8-4-3-7-20(21)27/h2-11,16H,12-15H2,1H3,(H,29,33)(H,30,34)
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| InChIKey |
NHVGTRYSERDQBG-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