Ji-101
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea
Molecular Identity
Ji-101
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea
PubChem CID: 11691242
2D Structure
Properties
C22H20BrN5O2
Molecular Formula
466.30
Molecular Weight
g/mol
465.0800
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
94.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
582
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)NIsomeric SMILES
SMILES: COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)NSynonyms(20)
JI-101900573-88-8CGI-1842Angiogenesis inhibitor ji-101Urea, N-(1-((2-amino-4-pyridinyl)methyl)-1H-indol-4-yl)-N'-(5-bromo-2-methoxyphenyl)-980M4N37DHJI 101JI101 cpdRefChem:1504853-(1-((2-aminopyridin-4-yl)methyl)-1H-indol-4-yl)-1-(5-bromo-2-methoxyphenyl)urea1-(1-((2-AMINOPYRIDIN-4-YL)METHYL)-1H-INDOL-4-YL)-3-(5-BROMO-2-METHOXYPHENYL)UREA1-[1-[(2-aminopyridin-4-yl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)ureaN-[1-[(2-Amino-4-pyridinyl)methyl]-1H-indol-4-yl]-N'-(5-bromo-2-methoxyphenyl)urea1-(1-((2-aminopyridin-4-yl)methyl)-1H-indol-4-yl)-3-(5-bromo-2-methoxyphenyl)urea.JI-?101
Data from PubChem (NCBI)
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Drug Network
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