General Information of the Compound
Compound ID
CP0564397
Compound Name
7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
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Synonyms
HBX-41108
USP inhibitors (cancer), Hybrigenics
USP-7 inhibitors (cancer), Hybrigenics
USP-7 inhibitors, Hybrigenics
USP-9 inhibitors (cancer), Hybrigenics
Ubiquitin-specific protease inhibitors (cancer), Hybrigenics
Ubiquitin-specific protease-7 inhibitors (cancer), Hybrigenics
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Structure
Formula
C13H3ClN4O
Molecular Weight
266.647
Canonical SMILES
Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N
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InChI
InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
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InChIKey
BIGPXXAUSQLTQR-UHFFFAOYSA-N
Physicochemical Property
logP
2.08476
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
90.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16065773
SID: 24707088
ChEMBL ID
CHEMBL2398212
Clinical Information about the Compound
Drug 1 ( HBX-41108 )
Drug Name HBX-41108
Company Hybrigenics SA
Indication
Solid tumour/cancer
Preclinical