General Information of the Compound
| Compound ID |
CP0513894
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-cyclobutyl-2-methoxypyridin-3-yl)methylamino]-1-(cyclohexanecarbonyl)-5-(2-methylphenyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C34H47N3O4
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| Molecular Weight |
561.767
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| Canonical SMILES |
COc1ncc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1C)C(=O)C1CCCCC1)C(O)=O)C(C)(C)C)C1CCC1
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| InChI |
InChI=1S/C34H47N3O4/c1-21-12-9-10-17-26(21)29-28(35-20-25-18-24(22-15-11-16-22)19-36-31(25)41-5)27(34(2,3)4)30(33(39)40)37(29)32(38)23-13-7-6-8-14-23/h9-10,12,17-19,22-23,27-30,35H,6-8,11,13-16,20H2,1-5H3,(H,39,40)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
QONDUHXFIKFVDD-KRCBVYEFSA-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