General Information of the Compound
| Compound ID |
CP0866643
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| Compound Name |
(4S,7S,10S,13S)-4-((1H-indol-3-yl)methyl)-10-benzyl-7-(2-carboxyethyl)-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 |
C39H44N6O10
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| Molecular Weight |
756.813
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| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O
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| InChI |
InChI=1S/C39H44N6O10/c1-40-36(52)32(21-25-22-41-28-10-6-5-9-27(25)28)45-37(53)29(15-17-34(48)49)43-39(55)31(19-23-7-3-2-4-8-23)44-38(54)30(42-33(47)16-18-35(50)51)20-24-11-13-26(46)14-12-24/h2-14,22,29-32,41,46H,15-21H2,1H3,(H,40,52)(H,42,47)(H,43,55)(H,44,54)(H,45,53)(H,48,49)(H,50,51)/t29-,30-,31-,32-/m0/s1
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| InChIKey |
ULUVQJONCWYQRU-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