General Information of the Compound
| Compound ID |
CP0394579
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C36H42F2N2O4
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| Molecular Weight |
604.738
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)C1CCCCC1)C(O)=O)C(C)(C)C)-c1cccc(F)c1F
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| InChI |
InChI=1S/C36H42F2N2O4/c1-36(2,3)29-31(39-21-25-20-24(18-19-28(25)44-4)26-16-11-17-27(37)30(26)38)32(22-12-7-5-8-13-22)40(33(29)35(42)43)34(41)23-14-9-6-10-15-23/h5,7-8,11-13,16-20,23,29,31-33,39H,6,9-10,14-15,21H2,1-4H3,(H,42,43)/t29-,31-,32-,33-/m0/s1
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| InChIKey |
JINLLZZVHTUXJX-BBXFGWPUSA-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