General Information of the Compound
| Compound ID |
CP0573892
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| Compound Name |
2-[4-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butyl]piperazin-1-yl]butylsulfanyl]-1,3-benzothiazole
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| Structure |
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| Formula |
C26H32N4S4
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| Molecular Weight |
528.838
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| Canonical SMILES |
C(CCN1CCN(CCCCSc2nc3ccccc3s2)CC1)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C26H32N4S4/c1-3-11-23-21(9-1)27-25(33-23)31-19-7-5-13-29-15-17-30(18-16-29)14-6-8-20-32-26-28-22-10-2-4-12-24(22)34-26/h1-4,9-12H,5-8,13-20H2
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| InChIKey |
BNERDISSYMQSCF-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