Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

481776 - Overview - Compound Synopsis

Synonyms
RIP
Molecular Formula
C78H96N16O13
InChI
InChI=1S/C78H96N16O13/c1-48(2)67(76(104)91-62(41-53-30-32-56(95)33-31-53)69(97)85-58(78(106)107)27-15-16-34-79)93-74(102)63(40-52-25-13-6-14-26-52)88-71(99)59(37-49-19-7-3-8-20-49)86-70(98)60(38-50-21-9-4-10-22-50)87-73(101)64(42-54-44-80-46-83-54)89-72(100)61(39-51-23-11-5-12-24-51)90-75(103)66-29-18-36-94(66)77(105)65(43-55-45-81-47-84-55)92-68(96)57-28-17-35-82-57/h3-14,19-26,30-33,44-48,57-67,82,95H,15-18,27-29,34-43,79H2,1-2H3,(H,80,83)(H,81,84)(H,85,97)(H,86,98)(H,87,101)(H,88,99)(H,89,100)(H,90,103)(H,91,104)(H,92,96)(H,93,102)(H,106,107)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
Smiles
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
Cross References
UniChem113713
canSAR481776
ChEMBLCHEMBL413534
BindingDB50022851
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1464.7342771321.81291629203No


Compounds with the same scaffold


Image of compound ID: 481776
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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