LigandBoxID:D00184

NAME:Ciclosporin;Cyclosporine;Gengraf;Neoral;Restasis;Sandimmune
SMILES: CC=CCC(C(C1C(NC(C(N(CC(N(C(C(NC(C(N(C(C(NC(C(NC(C(N(C(C(N(C(C(N(C(C(N1C)=O)C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C)=O)C(C)C)=O)CC(C)C)C)=O)C)=O)CC)=O)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00184

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C62H111N11O12 1202.635 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
12 12 0.5920 -9.5003
LOGS LOGP    
-14.3954 0.8997    

Links to the same SMILES compounds

LIGANDBOX C05086 HTS1610-00246921 HTS1610-00246922 HTS1610-01922415 HTS1610-01922416
KSH2016-00031320 KSH2016-01552916
CHEMBL CHEMBL160 CHEMBL262111 CHEMBL264229 CHEMBL267317 CHEMBL384718
CHEMBL385961 CHEMBL386389 CHEMBL386643 CHEMBL405051 CHEMBL405947 CHEMBL408138
CHEMBL532318 CHEMBL602375 CHEMBL606592 CHEMBL606593 CHEMBL607476
PUBCHEM 10486501 10677836 11073233 11194160 11491871
11528313 11557259 11643846 11815712 11979687 11981013
11981040 11981102 11982621 13037937 13037941 15985653
16045348 16048666 16061485 16404350 16730065 171409
20831316 22013673 23351418 23351781 23376125 23649039
23653560 24883466 24970043 25103811 25246316 2909
44119980 44251618 44264467 44309131 44354430 44361036
44361149 44361198 44373920 44377383 44393425 44393512
45489028 49652396 49849607 49867938 5280754 5284373
53376754 5458585 5497195 57123750 57317596 57417230
59704271 59748794 59755609 60105598 62280 6435893
6475771 6476564 6476816 6479218 6479219 6603775
6604816 6610296 6711153 9812738 9833865 9833913
9855081 9855363 9855373 9877195 9877287 9898439
9898440 9898781 9920207 9920260 9941946 9942024
9942063 9963861 9963913 9963921 9988947


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