General Information of the Compound
| Compound ID |
CP0427541
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1-[(2S)-oxane-2-carbonyl]-5-(2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C35H48N2O5
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| Molecular Weight |
576.778
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| Canonical SMILES |
CC(C)c1ccccc1[C@H]1[C@@H](NCc2cccc3CC(C)(C)Oc23)[C@@H]([C@H](N1C(=O)[C@@H]1CCCCO1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C35H48N2O5/c1-21(2)24-15-8-9-16-25(24)29-28(36-20-23-14-12-13-22-19-35(6,7)42-31(22)23)27(34(3,4)5)30(33(39)40)37(29)32(38)26-17-10-11-18-41-26/h8-9,12-16,21,26-30,36H,10-11,17-20H2,1-7H3,(H,39,40)/t26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
CTKWASSLHRPSJY-IIZANFQQSA-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