General Information of the Compound
| Compound ID |
CP0353054
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[[2-(dimethylamino)pyridin-3-yl]amino]-1-[(2S)-oxane-2-carbonyl]-5-(2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CC(C)c1ccccc1[C@H]1[C@@H](Nc2cccnc2N(C)C)[C@@H]([C@H](N1C(=O)[C@@H]1CCCCO1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C31H44N4O4/c1-19(2)20-13-8-9-14-21(20)26-25(33-22-15-12-17-32-28(22)34(6)7)24(31(3,4)5)27(30(37)38)35(26)29(36)23-16-10-11-18-39-23/h8-9,12-15,17,19,23-27,33H,10-11,16,18H2,1-7H3,(H,37,38)/t23-,24-,25-,26-,27-/m0/s1
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| InChIKey |
LKDPMJVZPJSSDS-IRGGMKSGSA-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