General Information of the Compound
| Compound ID |
CP0082135
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| Compound Name |
(S)-N-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4'-fluoro-N-methylbiphenyl-4-carboxamide
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| Structure |
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| Formula |
C31H34FN3O2
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| Molecular Weight |
499.63
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| Canonical SMILES |
CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H34FN3O2/c1-22(36)35-17-15-34(16-18-35)21-23-3-4-28-20-30(14-11-27(28)19-23)33(2)31(37)26-7-5-24(6-8-26)25-9-12-29(32)13-10-25/h3-10,12-13,19,30H,11,14-18,20-21H2,1-2H3/t30-/m0/s1
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| InChIKey |
YXGMOLUCRGSUHF-PMERELPUSA-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