| Drug Name |
BK7
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| Synonyms |
CHEMBL2030554; 3-(6-Ethoxynaphthalen-2-Yl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine; BK7; SCHEMBL14574630; BDBM50383381; RM-1-132; 3-(6-ethoxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
402.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.3 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C23H26N6O
- IUPAC Name
3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine - Canonical SMILES
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CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5
- InChI
-
InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
- InChIKey
-
DLMBMHOJKBPKLK-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 53346432
- TTD ID
- D0Y9PK
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