General
Preferred name
BUTOCIN
Synonyms
Butocine ()
Benin ()
P&D ID
PD099933
CAS
22181-94-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Benin is a potent cytostatic agent that can be used for the treatment of generalized carcinoma of the breast.
PRICE 587
DESCRIPTION Benin (Butocine) is an effective cytostatic drug used for the treatment of generalized carcinoma of the breast. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
337.12
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
2
cLogP
1.29
TPSA
109.86
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data