General Information of the Compound
| Compound ID |
CP0140703
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| Compound Name |
(S)-1-(((S)-6-(4'-fluoro-N-methylbiphenyl-4-ylcarboxamido)-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-N,N-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C32H36FN3O2
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| Molecular Weight |
513.657
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H36FN3O2/c1-34(2)32(38)30-5-4-18-36(30)21-22-6-7-27-20-29(17-14-26(27)19-22)35(3)31(37)25-10-8-23(9-11-25)24-12-15-28(33)16-13-24/h6-13,15-16,19,29-30H,4-5,14,17-18,20-21H2,1-3H3/t29-,30-/m0/s1
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| InChIKey |
OEUKDGTYEZUHLE-KYJUHHDHSA-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