General Information of the Compound
| Compound ID |
CP0427539
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[[2-methoxy-5-(1-methylcyclobutyl)phenyl]methylamino]-5-(2-methylphenyl)-1-[(2S)-oxane-2-carbonyl]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 |
COc1ccc(cc1CN[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(O)=O)C(=O)[C@@H]1CCCCO1)c1ccccc1C)C1(C)CCC1
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| InChI |
InChI=1S/C35H48N2O5/c1-22-12-7-8-13-25(22)30-29(36-21-23-20-24(15-16-26(23)41-6)35(5)17-11-18-35)28(34(2,3)4)31(33(39)40)37(30)32(38)27-14-9-10-19-42-27/h7-8,12-13,15-16,20,27-31,36H,9-11,14,17-19,21H2,1-6H3,(H,39,40)/t27-,28-,29-,30-,31-/m0/s1
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| InChIKey |
IMXZSKVJUSWWIQ-QKUYTOGTSA-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