SNDX-5613

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LZ0M43NNF2

Structure
InChI Key AXNUWYROYVRYIM-OQIJCFCCSA-N
Smile CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C76H106F2N12O20S2
Molecular Weight 1609.88
AlogP 4.68
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 107.97
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 44.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650278
FDA SRS LZ0M43NNF2
CONTENTS