General Information of the Compound
| Compound ID |
CP0520846
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| Compound Name |
(2S,5R,8R)-N-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-12-carboxamide
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| Structure |
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| Formula |
C42H49N7O10
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| Molecular Weight |
811.893
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| Canonical SMILES |
CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O
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| InChI |
InChI=1S/C42H49N7O10/c1-23(51)45-35-37(54)36(53)33(22-50)59-42(35)49-39(56)29-19-34(52)47-32(18-26-20-43-30-15-9-8-14-28(26)30)41(58)48-31(17-25-12-6-3-7-13-25)40(57)46-27(21-44-38(29)55)16-24-10-4-2-5-11-24/h2-15,20,27,29,31-33,35-37,42-43,50,53-54H,16-19,21-22H2,1H3,(H,44,55)(H,45,51)(H,46,57)(H,47,52)(H,48,58)(H,49,56)/t27-,29?,31-,32+,33?,35?,36?,37?,42?/m1/s1
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| InChIKey |
NZMATVJCLMDCAX-GYKNAASXSA-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