General Information of the Compound
| Compound ID |
CP0494908
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-(2-methylanilino)-1-[(2S)-oxane-2-carbonyl]-5-(2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C31H42N2O4
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| Molecular Weight |
506.687
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| Canonical SMILES |
CC(C)c1ccccc1[C@H]1[C@@H](Nc2ccccc2C)[C@@H]([C@H](N1C(=O)[C@@H]1CCCCO1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C31H42N2O4/c1-19(2)21-14-8-9-15-22(21)27-26(32-23-16-10-7-13-20(23)3)25(31(4,5)6)28(30(35)36)33(27)29(34)24-17-11-12-18-37-24/h7-10,13-16,19,24-28,32H,11-12,17-18H2,1-6H3,(H,35,36)/t24-,25-,26-,27-,28-/m0/s1
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| InChIKey |
MGGKRNQLQMTJNT-XLIKFSOKSA-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