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Chemical structure of DP-1

GC63389

DP-1

Also known as 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[1-(2-piperidin-4-ylethyl)indol-5-yl]-1H-1,2,4-triazol-5-one

DP-1, a degradation product of SDC-TRAP-0063, is a fragment of Ganetespib

ChemicalCAS1472616-61-7MW461.56FormulaC26H31N5O3
CAS number
1472616-61-7
Molecular weight
461.56
Formula
C26H31N5O3
Solubility
DMSO ： 25 mg/mL (54·16 mM; Need ultrasonic)
InChIKey
CPMBELNSUCVCNT-UHFFFAOYSA-N
Catalogue number
GC63389
Brand
GLPBIO
Computed properties PubChem CID 136377208 · XLogP 3.7 · TPSA 102 Ų · H-bond donors 4
XLogP
3.7
TPSA
102 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34

SMILES CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)CCC5CCNCC5)O)O

Computed descriptors from PubChem (CID 136377208), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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