Drug Name |
OXA-01
|
Synonyms |
MTORC1/mTORC2 inhibitor (cancer) OSI Pharmaceuticals |
Indication |
Disease Entry |
ICD 11 |
Status |
REF |
Solid tumour/cancer |
2A00-2F9Z
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Investigative |
[1] |
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
409.9 |
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Logarithm of the Partition Coefficient (xlogp) |
3.7 |
Rotatable Bond Count (rotbonds) |
3 |
Hydrogen Bond Donor Count (hbonddonor) |
3 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C21H20ClN5O2
- IUPAC Name
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
- Canonical SMILES
-
C1CC(CCC1C2=NC(=C3N2C=CN=C3N)C4=CC5=C(N4)C(=CC=C5)Cl)C(=O)O
- InChI
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InChI=1S/C21H20ClN5O2/c22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29)
- InChIKey
-
UXCAKZGNKOZXBM-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 45276387
- TTD ID
- D0J9PK
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