Chemical ID: 5182759

c1cc(ccc1C(=O)NC(CC(=O)O)CC(=O)O)NCc2cc3c(nc(nc3nc2)N)N
Chemical ID:
5182759
Name [?]:
3-[4-[(2,4-diamino-3,5,7-triazabicyclo[4.4.0]deca-2,4,6,8,10-pentaen-9-yl)methylamino]benzoyl]aminopentanedioic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CC(=O)O)CC(=O)O)NCc2cc3c(nc(nc3nc2)N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N7O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.3461
Area:679.387
Solvation:-5.6386
Coulombic:-133.42
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.425
H-Bond Donors:8
H-Bond Acceptors:9
XLogP:-0.26
LogP (Chemaxon):-1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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