General Information of the Compound
| Compound ID |
CP0860144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-butynyl)-6-(quinoline-7-carbonyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28Cl2F3N5O2
|
||||||||||||||||||
| Molecular Weight |
618.487
|
||||||||||||||||||
| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3cccnc3c1)CC2.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26F3N5O2.2ClH/c1-3-4-15-38-28(40)24-18-37(27(39)22-8-7-21-6-5-14-34-26(21)17-22)16-13-25(24)36-29(38)35-19(2)20-9-11-23(12-10-20)30(31,32)33;;/h5-12,14,17,19H,13,15-16,18H2,1-2H3,(H,35,36);2*1H/t19-;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIXQOUDXMQSDCN-TXEPZDRESA-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