FLUORESCEIN LISICOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U7GBB0934J

Structure
InChI Key KHNJPPGHIWPDLG-DXNXUNFASA-N
Smile C[C@H](CCC(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
InChI
InChI=1S/C51H63N3O11S/c1-26(33-14-15-37-45-38(25-43(59)50(33,37)3)49(2)18-17-31(57)20-27(49)21-40(45)58)7-16-44(60)54-39(46(61)62)6-4-5-19-52-48(66)53-28-8-11-34-32(22-28)47(63)65-51(34)35-12-9-29(55)23-41(35)64-42-24-30(56)10-13-36(42)51/h8-13,22-24,26-27,31,33,37-40,43,45,55-59H,4-7,14-21,25H2,1-3H3,(H,54,60)(H,61,62)(H2,52,53,66)/t26-,27+,31-,33-,37+,38+,39+,40-,43+,45+,49+,50-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C51H63N3O11S
Molecular Weight 926.14
AlogP 7.07
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 12.0
Polar Surface Area 227.14
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 66.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107751
FDA SRS U7GBB0934J
PubChem 70697664
ZINC ZINC000169290428
CONTENTS