BIAdb CID3045990 1751

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BIAdb CID3045990 1751
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	3045990
Chemical data
Formula	C₂₃H₂₇N₃O₄
Mol. mass	409.47818
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

409.47818

*Exact Mass

409.200156

*Molecular Formula

C₂₃H₂₇N₃O₄

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC(=O)N(C)C)OC(=O)N(C)C

*Isomeric Smiles

CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC(=O)N(C)C)OC(=O)N(C)C

*XLogP

2.5

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

62.3