General Information of the Compound
| Compound ID |
CP0474632
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| Compound Name |
(R)-N-((7R,8R)-8-(4-ethylphenylsulfonamido)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(3-(trifluoromethoxy)benzyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H34F3N3O5S
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| Molecular Weight |
617.69
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)[C@H]3CCCN3Cc3cccc(OC(F)(F)F)c3)cc12
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| InChI |
InChI=1S/C31H34F3N3O5S/c1-2-20-8-13-25(14-9-20)43(40,41)36-29-26-18-23(12-10-22(26)11-15-28(29)38)35-30(39)27-7-4-16-37(27)19-21-5-3-6-24(17-21)42-31(32,33)34/h3,5-6,8-10,12-14,17-18,27-29,36,38H,2,4,7,11,15-16,19H2,1H3,(H,35,39)/t27-,28-,29-/m1/s1
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| InChIKey |
MODGNMAMHCPEIG-MPFGFTFXSA-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