Neladalkib
(19R)-5-chloro-3-ethyl-16-fluoro-10,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
Molecular Identity
Neladalkib
(19R)-5-chloro-3-ethyl-16-fluoro-10,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
PubChem CID: 164718816
2D Structure
Properties
C23H22ClFN6O
Molecular Formula
452.90
Molecular Weight
g/mol
452.1528
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
662
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C2=C(CC3=CN(N=C3C4=C(C=C(C=C4)F)C(OC5=C(N=CC2=C5)N)C)C)C(=N1)ClIsomeric SMILES
SMILES: CCN1C2=C(CC3=CN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C(=N1)ClSynonyms(20)
neladalkib2739866-40-9J32P26A6BCRefChem:1092303ALK-IN-27(R)-1-Chloro-3-ethyl-12-fluoro-10,16-dimethyl-3,10,16,18-tetrahydro-4,8-(metheno)benzo[l]dipyrazolo[3,4-g:4',3'-j][1]oxa[4]azacyclotetradecin-7-amine(19R)-5-chloro-3-ethyl-16-fluoro-10,19-dimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amineNUV-655NVL-655neladalkib [INN]Neladalkib [WHO-DD]Neladalkib (USAN/INN)NELADALKIB [USAN]A1IJ8Neladalkib (NVL-655)
Data from PubChem (NCBI)
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