Bcl-2-IN-16
4-[(8R,15S)-4-(4-chlorophenyl)-6,6-dimethyl-9,13-dioxa-1,17-diazatricyclo[13.4.0.03,8]nonadec-3-en-17-yl]-N-[4-[[(2S,5R)-5-methoxyoxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-10-yl)benzamide
Molecular Identity
Bcl-2-IN-16
4-[(8R,15S)-4-(4-chlorophenyl)-6,6-dimethyl-9,13-dioxa-1,17-diazatricyclo[13.4.0.03,8]nonadec-3-en-17-yl]-N-[4-[[(2S,5R)-5-methoxyoxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(14-oxa-2,4,10-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-10-yl)benzamide
PubChem CID: 169450714
2D Structure
Properties
C53H63ClN8O10S
Molecular Formula
1039.60
Molecular Weight
g/mol
1038.4076
Exact Mass
Da
7.8
XLogP
Above Lipinski threshold
214
TPSA
May have limited oral absorption
3
H-Bond Donors
15
H-Bond Acceptors
2020
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC2C(=C(C1)C3=CC=C(C=C3)Cl)CN4CCN(CC4COCCCO2)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CO7)OC)[N+](=O)[O-])N8CCCOC9=C8C=C1C=CNC1=N9)CIsomeric SMILES
SMILES: CC1(C[C@@H]2C(=C(C1)C3=CC=C(C=C3)Cl)CN4CCN(C[C@H]4COCCCO2)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC[C@@H]7CC[C@H](CO7)OC)[N+](=O)[O-])N8CCCOC9=C8C=C1C=CNC1=N9)CSynonyms(20)
SurzetoclaxBcl-2-IN-162858632-01-4surzetoclax [INN]Surzetoclax (USAN/INN)C3TU3CHH6LSURZETOCLAX [USAN]ABBV-453orb1941860ABBV 453 [WHO-DD]CHEMBL6068032BDBM669483US11964990, Example 25HY-156877CS-0900302
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Bcl-2-IN-16
Loading drug network...