FOLITIXORIN CALCIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E24OC39JVA

Structure
InChI Key AKUPTUNGFOADRT-ZEDZUCNESA-L
Smile Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)CN21.[Ca+2]
InChI
InChI=1S/C20H23N7O6.Ca/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31);/q;+2/p-2/t12?,13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21CaN7O6
Molecular Weight 495.51
AlogP -0.52
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 193.98
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rectal Neoplasms 3 D012004 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103811
FDA SRS E24OC39JVA
PubChem 135540812
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