General Information of the Compound
| Compound ID |
CP0877554
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| Compound Name |
(1S,2S)-2-((4S,7S,10S,13S)-4,10-dibenzyl-7-(2-carboxyethyl)-14-(4-hydroxyphenyl)-3,6,9,12-tetraoxo-2,5,8,11-tetraazatetradecan-13-ylcarbamoyl)cyclopentanecarboxylic acid
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| Structure |
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| Formula |
C40H47N5O10
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| Molecular Weight |
757.841
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC[C@@H]1C(=O)O
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| InChI |
InChI=1S/C40H47N5O10/c1-41-36(50)31(21-24-9-4-2-5-10-24)44-37(51)30(19-20-34(47)48)42-38(52)33(22-25-11-6-3-7-12-25)45-39(53)32(23-26-15-17-27(46)18-16-26)43-35(49)28-13-8-14-29(28)40(54)55/h2-7,9-12,15-18,28-33,46H,8,13-14,19-23H2,1H3,(H,41,50)(H,42,52)(H,43,49)(H,44,51)(H,45,53)(H,47,48)(H,54,55)/t28-,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
AOJUJQSZJYDYET-FSJACQRISA-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