General Information of the Compound
| Compound ID |
CP0525850
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| Compound Name |
(1S,4R)-1-[[4-(5-acetylpyridin-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 |
C21H29N3O4S
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| Molecular Weight |
419.547
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| Canonical SMILES |
CC(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
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| InChI |
InChI=1S/C21H29N3O4S/c1-15(25)16-4-5-19(22-13-16)23-8-10-24(11-9-23)29(27,28)14-21-7-6-17(12-18(21)26)20(21,2)3/h4-5,13,17H,6-12,14H2,1-3H3/t17-,21-/m1/s1
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| InChIKey |
PQZARRWRPXKNAY-DYESRHJHSA-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