| Drug Name |
CQ7
|
| Synonyms |
cc-671; 1618658-88-0; CC671; 4-{[4-(Cyclopentyloxy)-5-(2-Methyl-1,3-Benzoxazol-6-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl]amino}-3-Methoxy-N-Methylbenzamide; SCHEMBL16476100; CHEMBL4062218; US9623028, Compound 38; BDBM317462; EX-A1868; CS-8218; 4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide; HY-108709; 4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6-yl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide; CQ7
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 2 |
Molecular Weight (mw) |
512.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.2 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C28H28N6O4
- IUPAC Name
4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide - Canonical SMILES
-
CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6
- InChI
-
InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
- InChIKey
-
CWJLAVRXVFHDSJ-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 117881270
- TTD ID
- D0PO8N
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