General Information of the Compound
| Compound ID |
CP0505254
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| Compound Name |
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
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| Structure |
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| Formula |
C17H27N3O2S
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| Molecular Weight |
337.489
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1csc(CN2CCOCC2)c1
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| InChI |
InChI=1S/C17H27N3O2S/c1-14(2)19-3-5-20(6-4-19)17(21)15-11-16(23-13-15)12-18-7-9-22-10-8-18/h11,13-14H,3-10,12H2,1-2H3
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| InChIKey |
PUEMTESDRSZFHW-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