LigandBoxID:D00585

NAME:Mifepristone;Korlym;Mifeprex
SMILES: CC#CC5(CCC4C3CCC2=CC(CCC2=C3C(c1ccc(cc1)N(C)C)CC54C)=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00585

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C29H35NO2 429.604 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 5 -0.6351 -8.3987
LOGS LOGP    
-6.8431 6.0014    

Links to the same SMILES compounds

LIGANDBOX C07652 HTS1610-00000254 HTS1610-00000255 HTS1610-00335021 HTS1610-00335022
KSH2016-00020819 KSH2016-01611282 PDB_486
CHEMBL CHEMBL1201025 CHEMBL1276308 CHEMBL1456609 CHEMBL1521453 CHEMBL1556464
CHEMBL16461 CHEMBL1987697 CHEMBL319896 CHEMBL329913 CHEMBL438575 CHEMBL540699
ZINC ZINC03814382 ZINC03831128 ZINC03831129 ZINC03831130 ZINC08660419
ZINC08681718 ZINC14984307
PUBCHEM 10387949 10503032 11600129 11743390 15953866
16394559 16758830 1756360 18649237 20651195 24178496
25260940 26339468 374394 40785059 4196 44270989
44327040 44327059 44327099 46201087 46219483 46219484
46219485 46219486 46219604 46219605 46219606 46219607
46219724 46219725 46219726 46219846 46219847 46219848
46219955 46219956 46219957 46219958 46220064 46220065
46220066 46220167 46220168 46220169 46220170 46220278
46220279 46220280 46220384 46220385 46782374 49800048
50992444 53394720 55245 59349213 59349216 6426861
6569219 6604445 6604870 6712024 7048587 7048709
7048710 9831122 9831779 9853602 9875273 9910521
9940284 9961732 9961941 9963663


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