General Information of the Compound
| Compound ID |
CP0863676
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| Compound Name |
(S)-1-[(S)-4-(2-tert-Butylcarbamoyl-phenyl)-2-hydroxy-butyl]-pyrrolidine-2-carboxylic acid tert-butylamide
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| Structure |
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| Formula |
C24H39N3O3
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| Molecular Weight |
417.594
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccccc1CC[C@H](O)CN1CCC[C@H]1C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C24H39N3O3/c1-23(2,3)25-21(29)19-11-8-7-10-17(19)13-14-18(28)16-27-15-9-12-20(27)22(30)26-24(4,5)6/h7-8,10-11,18,20,28H,9,12-16H2,1-6H3,(H,25,29)(H,26,30)/t18-,20-/m0/s1
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| InChIKey |
OYUBDSMYTODQPW-ICSRJNTNSA-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