General Information of the Compound
| Compound ID |
CP0522800
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| Compound Name |
(1S,4R)-1-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
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| Structure |
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| Formula |
C21H27N3O3S2
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| Molecular Weight |
433.599
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1nc3ccccc3s1)C(=O)C2
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| InChI |
InChI=1S/C21H27N3O3S2/c1-20(2)15-7-8-21(20,18(25)13-15)14-29(26,27)24-11-9-23(10-12-24)19-22-16-5-3-4-6-17(16)28-19/h3-6,15H,7-14H2,1-2H3/t15-,21-/m1/s1
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| InChIKey |
AEHYZDRSKXITQV-QVKFZJNVSA-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