Glycoside
GD038544
Name:
5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amineFormula:
C25H34O4N7BrSmiles:
CC(C)(C)c1ccc(NC(=O)NCCCNC[C@H]2O[C@H](n3cc(Br)c4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1Aglycone:
CNCCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Nc1ncnc2c1C(Br)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 576.5 | Num_heavy_atoms: | 37 |
| TPSA: | 159.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD04987
Formula: C6H4N4Br
Smiles:
Nc1ncnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 212.03 | Num_heavy_atoms: | 11 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD17482
Formula: C15H25ON3
Smiles:
CNCCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.38 | Num_heavy_atoms: | 19 |
| TPSA: | 53.16 | NumAromaticRings: | 1 |
