General Information of the Compound
| Compound ID |
CP0496111
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| Compound Name |
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]piperidine-4-sulfonamide
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| Structure |
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| Formula |
C18H27N5O2S2
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| Molecular Weight |
409.581
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| Canonical SMILES |
O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CCNCC1
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| InChI |
InChI=1S/C18H27N5O2S2/c24-27(25,15-7-12-19-13-8-15)22-11-4-1-3-10-21-18-23-17(14-26-18)16-6-2-5-9-20-16/h2,5-6,9,14-15,19,22H,1,3-4,7-8,10-13H2,(H,21,23)
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| InChIKey |
LRKIXOXNUBCXND-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