General Information of the Compound
| Compound ID |
CP0573890
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| Compound Name |
3-[6-[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl]piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C27H34N4O2S2
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| Molecular Weight |
510.729
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| Canonical SMILES |
O=c1sc2ccccc2n1CCCCCCN1CCN(CCCn2c3ccccc3sc2=O)CC1
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| InChI |
InChI=1S/C27H34N4O2S2/c32-26-30(22-10-3-5-12-24(22)34-26)16-8-2-1-7-14-28-18-20-29(21-19-28)15-9-17-31-23-11-4-6-13-25(23)35-27(31)33/h3-6,10-13H,1-2,7-9,14-21H2
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| InChIKey |
DCGNWNPSRQQYKS-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