Crolibulin
(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
Molecular Identity
Crolibulin
(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID: 23649181
Crolibulin is a neoflavonoid.
2D Structure
Properties
C18H17BrN4O3
Molecular Formula
417.30
Molecular Weight
g/mol
416.0484
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
606
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OCIsomeric SMILES
SMILES: COC1=C(C(=CC(=C1)[C@@H]2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OCSynonyms(20)
Crolibulin1000852-17-4EPC2407EPC 2407crolibulinacrolibuline(4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile9ENT43KY91EPC-2407DTXSID10142925crolibulinumRefChem:128515Microtubule Inhibitor EPC2407DTXCID2065416Crolibulin [USAN]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Crolibulin
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