General Information of the Compound
| Compound ID |
CP0546326
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| Compound Name |
[4-[[3-(1,3-benzothiazol-2-ylamino)-2,6-dimethylphenyl]methyl]piperazin-1-yl]-cyclopentylmethanone
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| Structure |
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| Formula |
C26H32N4OS
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| Molecular Weight |
448.636
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| Canonical SMILES |
Cc1ccc(Nc2nc3ccccc3s2)c(C)c1CN1CCN(CC1)C(=O)C1CCCC1
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| InChI |
InChI=1S/C26H32N4OS/c1-18-11-12-22(27-26-28-23-9-5-6-10-24(23)32-26)19(2)21(18)17-29-13-15-30(16-14-29)25(31)20-7-3-4-8-20/h5-6,9-12,20H,3-4,7-8,13-17H2,1-2H3,(H,27,28)
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| InChIKey |
RWOOSELAEQLUAG-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