General Information of the Compound
| Compound ID |
CP0501048
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| Compound Name |
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H23N5O5S
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| Molecular Weight |
469.523
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C22H23N5O5S/c28-22(26-14-12-25(13-15-26)18-4-6-19(7-5-18)27(29)30)9-11-24-33(31,32)21-3-1-2-17-16-23-10-8-20(17)21/h1-8,10,16,24H,9,11-15H2
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| InChIKey |
VWSMSXFOOAWQLI-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