General Information of the Compound
| Compound ID |
CP0504784
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| Compound Name |
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
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| Structure |
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| Formula |
C16H27N3O2S
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| Molecular Weight |
325.478
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| Canonical SMILES |
COCCNCc1ccc(s1)C(=O)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C16H27N3O2S/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
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| InChIKey |
DTSYZOPDJZRHPG-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