General Information of the Compound
| Compound ID |
CP0750822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Tert-butyl (S)-(2-(2-(2-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)ethoxy)ethoxy)ethyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39ClN6O5S
|
||||||||||||||||||
| Molecular Weight |
631.199
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)c1nnc(C)n1-2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39ClN6O5S/c1-18-19(2)43-28-25(18)26(21-7-9-22(31)10-8-21)34-23(27-36-35-20(3)37(27)28)17-24(38)32-11-13-40-15-16-41-14-12-33-29(39)42-30(4,5)6/h7-10,23H,11-17H2,1-6H3,(H,32,38)(H,33,39)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMYKZDUQLVXDIX-QHCPKHFHSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||