General Information of the Compound
| Compound ID |
CP0538950
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| Compound Name |
3-[4-[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl]piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H30N4O2S2
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| Molecular Weight |
482.675
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| Canonical SMILES |
O=c1sc2ccccc2n1CCCCN1CCN(CCCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C25H30N4O2S2/c30-24-28(20-8-1-3-10-22(20)32-24)14-6-5-12-26-16-18-27(19-17-26)13-7-15-29-21-9-2-4-11-23(21)33-25(29)31/h1-4,8-11H,5-7,12-19H2
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| InChIKey |
DDCNFJURSDHRMF-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