General Information of the Compound
| Compound ID |
CP0458294
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| Compound Name |
N-[3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C17H18ClN7O3S2
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| Molecular Weight |
467.964
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| Canonical SMILES |
Clc1cnc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
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| InChI |
InChI=1S/C17H18ClN7O3S2/c18-12-10-19-17(20-11-12)25-8-6-24(7-9-25)15(26)4-5-21-30(27,28)14-3-1-2-13-16(14)23-29-22-13/h1-3,10-11,21H,4-9H2
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| InChIKey |
RNNCHYJSLVOISV-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