General Information of the Compound
| Compound ID |
CP0545430
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| Compound Name |
3-[6-[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C26H32N4O2S2
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| Molecular Weight |
496.702
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| Canonical SMILES |
O=c1sc2ccccc2n1CCCCCCN1CCN(CCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C26H32N4O2S2/c31-25-29(21-9-3-5-11-23(21)33-25)14-8-2-1-7-13-27-15-17-28(18-16-27)19-20-30-22-10-4-6-12-24(22)34-26(30)32/h3-6,9-12H,1-2,7-8,13-20H2
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| InChIKey |
ZFKNSEZGPIKUBM-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