General Information of the Compound
| Compound ID |
CP0961681
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| Compound Name |
[4-(2-Benzylamino-2-phenylethyl)piperazin-1-yl](tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(CC(NCc2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C24H31N3O2/c28-24(23-12-7-17-29-23)27-15-13-26(14-16-27)19-22(21-10-5-2-6-11-21)25-18-20-8-3-1-4-9-20/h1-6,8-11,22-23,25H,7,12-19H2
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| InChIKey |
MUXRVMAFBSHERF-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