General Information of the Compound
| Compound ID |
CP0257094
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| Compound Name |
(S)-1-(6-((1H-imidazol-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(4-fluorophenethyl)piperazin-2-one
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| Structure |
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| Formula |
C26H29FN4O
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| Molecular Weight |
432.543
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| Canonical SMILES |
Fc1ccc(CCN2CCN([C@H]3CCc4cc(Cn5ccnc5)ccc4C3)C(=O)C2)cc1
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| InChI |
InChI=1S/C26H29FN4O/c27-24-6-2-20(3-7-24)9-11-29-13-14-31(26(32)18-29)25-8-5-22-15-21(1-4-23(22)16-25)17-30-12-10-28-19-30/h1-4,6-7,10,12,15,19,25H,5,8-9,11,13-14,16-18H2/t25-/m0/s1
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| InChIKey |
GCYKFPCFTPBZFL-VWLOTQADSA-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