General Information of the Compound
| Compound ID |
CP0512085
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| Compound Name |
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-5-sulfonamide
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| Structure |
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| Formula |
C18H20N6O3S2
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| Molecular Weight |
432.531
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1ccc2nsnc2c1)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C18H20N6O3S2/c25-18(24-11-9-23(10-12-24)14-3-6-19-7-4-14)5-8-20-29(26,27)15-1-2-16-17(13-15)22-28-21-16/h1-4,6-7,13,20H,5,8-12H2
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| InChIKey |
BLDXPGPBSPQNCL-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
Protein ID: PT06109, Geminin
Protein ID: PT01310, Muscarinic acetylcholine receptor M1