General Information of the Compound
| Compound ID |
CP0543405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(hydroxymethyl)-4-[8-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]imidazo[1,2-b]pyridazin-6-yl]pyridin-2-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N10O2
|
||||||||||||||||||
| Molecular Weight |
564.654
|
||||||||||||||||||
| Canonical SMILES |
CN1CCn2nc(Nc3cc(nn4ccnc34)-c3ccnc(N4CCn5c6CCCCc6cc5C4=O)c3CO)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N10O2/c1-36-10-13-39-20(17-36)15-27(35-39)33-24-16-23(34-40-9-8-32-29(24)40)21-6-7-31-28(22(21)18-41)38-12-11-37-25-5-3-2-4-19(25)14-26(37)30(38)42/h6-9,14-16,41H,2-5,10-13,17-18H2,1H3,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCTHZVUJRUQEGV-UHFFFAOYSA-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 | |||||||||||||||||||