General Information of the Compound
| Compound ID |
CP0428685
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| Compound Name |
N-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C21H20F2N4O3S
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| Molecular Weight |
446.479
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| Canonical SMILES |
Fc1cccc(N2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)c1F
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| InChI |
InChI=1S/C21H20F2N4O3S/c22-17-4-2-5-18(21(17)23)26-9-11-27(12-10-26)20(28)14-25-31(29,30)19-6-1-3-15-13-24-8-7-16(15)19/h1-8,13,25H,9-12,14H2
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| InChIKey |
RBBVFBSYKASBCJ-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