General Information of the Compound
| Compound ID |
CP0431176
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| Compound Name |
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H21N5O3S/c23-14-17-4-6-19(7-5-17)26-10-12-27(13-11-26)22(28)16-25-31(29,30)21-3-1-2-18-15-24-9-8-20(18)21/h1-9,15,25H,10-13,16H2
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| InChIKey |
ATAALHCGCBKUDG-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