General Information of the Compound
| Compound ID |
CP0930932
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| Compound Name |
(4-{2-(4-Fluorophenyl)-2-[(thiophen-2-ylmethyl)amino]ethyl}piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C22H28FN3O2S
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| Molecular Weight |
417.55
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(CC(NCc2cccs2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H28FN3O2S/c23-18-7-5-17(6-8-18)20(24-15-19-3-2-14-29-19)16-25-9-11-26(12-10-25)22(27)21-4-1-13-28-21/h2-3,5-8,14,20-21,24H,1,4,9-13,15-16H2
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| InChIKey |
NYVDYEQXJKXCIV-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