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

1019281 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C73H103N18O46P7S
InChI
InChI=1S/C73H103N18O46P7S/c1-35-24-88(70(100)81-63(35)93)59-18-40(131-138(104,105)106)52(130-59)34-123-144(117,145-16-8-6-5-7-12-74)137-45-23-62(91-27-38(4)66(96)84-73(91)103)129-51(45)33-122-143(115,116)136-44-22-61(90-26-37(3)65(95)83-72(90)102)128-50(44)32-121-142(113,114)135-43-21-60(89-25-36(2)64(94)82-71(89)101)127-49(43)31-120-141(111,112)134-42-20-58(87-15-11-55(77)80-69(87)99)126-48(42)30-119-140(109,110)133-41-19-57(86-14-10-54(76)79-68(86)98)125-47(41)29-118-139(107,108)132-39-17-56(124-46(39)28-92)85-13-9-53(75)78-67(85)97/h9-11,13-15,24-27,39-52,56-62,92H,5-8,12,16-23,28-34,74H2,1-4H3,(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,75,78,97)(H2,76,79,98)(H2,77,80,99)(H,81,93,100)(H,82,94,101)(H,83,95,102)(H,84,96,103)(H2,104,105,106)/t39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,56+,57+,58+,59+,60+,61+,62+,144-/m0/s1
Smiles
Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](CO[P@@](=O)(O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)SCCCCCCN)O2)c(=O)[nH]c1=O
Cross References
UniChem27280607
canSAR1019281
ChEMBLCHEMBL2058552
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 2216.415785226-1.305922064248Yes


Compounds with the same scaffold


Image of compound ID: 1019281
Murko Scaffold Family: 6 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12