General Information of the Compound
| Compound ID |
CP0483785
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| Compound Name |
N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
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| Structure |
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| Formula |
C40H47N7O6
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| Molecular Weight |
721.859
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| Canonical SMILES |
OC[C@@H]1CCCN1CC(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
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| InChI |
InChI=1S/C40H47N7O6/c48-25-30-14-9-17-47(30)24-37(50)45-35-21-36(49)44-34(20-28-22-41-32-16-8-7-15-31(28)32)40(53)46-33(19-27-12-5-2-6-13-27)39(52)43-29(23-42-38(35)51)18-26-10-3-1-4-11-26/h1-8,10-13,15-16,22,29-30,33-35,41,48H,9,14,17-21,23-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t29-,30+,33+,34+,35-/m1/s1
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| InChIKey |
OSTUFFGVCVUJCF-QSZOUWMRSA-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