General Information of the Compound
| Compound ID |
CP0889394
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| Compound Name |
(4S,10S,13S,16S)-4-((1H-indol-3-yl)methyl)-16-acetamido-10-benzyl-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazaoctadecan-18-oic acid
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| Structure |
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| Formula |
C38H43N7O9
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| Molecular Weight |
741.802
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| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O
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| InChI |
InChI=1S/C38H43N7O9/c1-22(46)42-32(19-34(49)50)38(54)45-30(17-24-12-14-26(47)15-13-24)37(53)44-29(16-23-8-4-3-5-9-23)36(52)41-21-33(48)43-31(35(51)39-2)18-25-20-40-28-11-7-6-10-27(25)28/h3-15,20,29-32,40,47H,16-19,21H2,1-2H3,(H,39,51)(H,41,52)(H,42,46)(H,43,48)(H,44,53)(H,45,54)(H,49,50)/t29-,30-,31-,32-/m0/s1
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| InChIKey |
SHOBIYNCNGIDCF-YDPTYEFTSA-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