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1D1
FEATURES
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NAMES
  • 1D1
SMILES
CCC1C(=O)N(C)c2cnc(-c3ccc[nH]3)nc2N1C1CCCC1
InChI
InChI=1S/C18H23N5O/c1-3-14-18(24)22(2)15-11-20-16(13-9-6-10-19-13)21-17(15)23(14)12-7-4-5-8-12/h6,9-12,14,19H,3-5,7-8H2,1-2H3/t14-/m1/s1
MOLECULAR FORMULA
C18H23N5O
CROSS REFERENCES
  • UniChem: 28698857
  • canSAR: 1148799
  • PDBe (Protein Data Bank Europe): 1D1
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1D1

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 325.19
AlogP 2.98
HBond donors 1
HBond acceptors 6
Atoms 47
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1D1.