Drug Name |
US9156852, 38
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Synonyms |
SCHEMBL15065881; CHEMBL3954810; BDBM185586; US9156852, 38 |
Drug Type |
Small molecular drug
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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) |
460.9 |
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Logarithm of the Partition Coefficient (xlogp) |
4.8 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
3 |
Hydrogen Bond Acceptor Count (hbondacc) |
7 |
Chemical Identifiers |
- Formula
- C23H17ClN6OS
- IUPAC Name
4-amino-N-[1-(3-chloroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
- Canonical SMILES
-
CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC(=CC=C3)Cl)NC(=O)C4=CSC5=C4N=CN=C5N
- InChI
-
InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)
- InChIKey
-
RFEWCQAWLXXDQI-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 89655060
- TTD ID
- D05AFD
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