General Information of the Compound
| Compound ID |
CP0888598
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| Compound Name |
(1S,2R)-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)cyclohexanecarboxylic acid
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| Structure |
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| Formula |
C41H49N5O10
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| Molecular Weight |
771.868
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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]1CCCC[C@@H]1C(=O)O
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| InChI |
InChI=1S/C41H49N5O10/c1-42-37(51)32(22-25-10-4-2-5-11-25)45-38(52)31(20-21-35(48)49)43-39(53)34(23-26-12-6-3-7-13-26)46-40(54)33(24-27-16-18-28(47)19-17-27)44-36(50)29-14-8-9-15-30(29)41(55)56/h2-7,10-13,16-19,29-34,47H,8-9,14-15,20-24H2,1H3,(H,42,51)(H,43,53)(H,44,50)(H,45,52)(H,46,54)(H,48,49)(H,55,56)/t29-,30+,31+,32+,33+,34+/m1/s1
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| InChIKey |
OTGDHVGMARVRAY-QLGIUQJMSA-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