General Information of the Compound
| Compound ID |
CP0961790
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| Compound Name |
{4-[2-Benzylamino-2-(4-fluorophenyl)ethyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C24H30FN3O2
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| Molecular Weight |
411.521
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(CC(NCc2ccccc2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H30FN3O2/c25-21-10-8-20(9-11-21)22(26-17-19-5-2-1-3-6-19)18-27-12-14-28(15-13-27)24(29)23-7-4-16-30-23/h1-3,5-6,8-11,22-23,26H,4,7,12-18H2
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| InChIKey |
YGAVYVPHWNYWGB-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