General Information of the Compound
| Compound ID |
CP0281750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F3N7O3S
|
||||||||||||||||||
| Molecular Weight |
559.574
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(nn1)N1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F3N7O3S/c26-25(27,28)22(13-1-2-13)32-24-20-15-4-3-14(11-18(15)31-21(20)16(12-30-24)23(29)36)17-5-6-19(34-33-17)35-7-9-39(37,38)10-8-35/h3-6,11-13,22,31H,1-2,7-10H2,(H2,29,36)(H,30,32)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJGMROGDTTZZAX-JOCHJYFZSA-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 | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound