General Information of the Compound
| Compound ID |
CP0309395
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| Compound Name |
(S)-4-(4-fluorophenethyl)-1-(6-((2,2,2-trifluoroethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one
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| Structure |
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| Formula |
C25H29F4N3O
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| Molecular Weight |
463.519
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| Canonical SMILES |
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CNCC(F)(F)F)ccc4C3)C(=O)C2)cc1
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| InChI |
InChI=1S/C25H29F4N3O/c26-22-6-2-18(3-7-22)9-10-31-11-12-32(24(33)16-31)23-8-5-20-13-19(1-4-21(20)14-23)15-30-17-25(27,28)29/h1-4,6-7,13,23,30H,5,8-12,14-17H2/t23-/m0/s1
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| InChIKey |
BZZAXSZUWDZRBM-QHCPKHFHSA-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