General Information of the Compound
| Compound ID |
CP0481995
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C36H44N2O5
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| Molecular Weight |
584.757
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1)C(O)=O)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C36H44N2O5/c1-35(2,3)25-17-18-26(42-7)24(19-25)21-37-30-29(36(4,5)6)32(34(40)41)38(31(30)22-13-9-8-10-14-22)33(39)28-20-23-15-11-12-16-27(23)43-28/h8-19,28-32,37H,20-21H2,1-7H3,(H,40,41)/t28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
APFXNTAZNHEQJB-XDIGFQIYSA-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