General Information of the Compound
| Compound ID |
CP0464556
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| Compound Name |
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H23FN4O3S
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| Molecular Weight |
442.516
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| Canonical SMILES |
CN(CC(=O)N1CCN(CC1)c1ccccc1F)S(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C22H23FN4O3S/c1-25(31(29,30)21-8-4-5-17-15-24-10-9-18(17)21)16-22(28)27-13-11-26(12-14-27)20-7-3-2-6-19(20)23/h2-10,15H,11-14,16H2,1H3
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| InChIKey |
KHJXBDNTVMYJCM-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