General Information of the Compound
| Compound ID |
CP0545436
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| Compound Name |
3-[5-[4-[5-(2-oxo-1,3-benzothiazol-3-yl)pentyl]piperazin-1-yl]pentyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C28H36N4O2S2
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| Molecular Weight |
524.756
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| Canonical SMILES |
O=c1sc2ccccc2n1CCCCCN1CCN(CCCCCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C28H36N4O2S2/c33-27-31(23-11-3-5-13-25(23)35-27)17-9-1-7-15-29-19-21-30(22-20-29)16-8-2-10-18-32-24-12-4-6-14-26(24)36-28(32)34/h3-6,11-14H,1-2,7-10,15-22H2
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| InChIKey |
HGMFEAOQSOXRCZ-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