Chemical ID: 3965420

c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N
Chemical ID:
3965420
Name [?]:
2-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]aminopentanedioic acid
SMILES [?]:
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N8O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.4338
Area:697.029
Solvation:-5.99192
Coulombic:-140.516
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.413
H-Bond Donors:8
H-Bond Acceptors:9
XLogP:-0.58
LogP (Chemaxon):-1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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