General Information of the Compound
| Compound ID |
CP0574916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7S)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-15-methyl-5-propan-2-yl-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaen-17-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32F3N5O
|
||||||||||||||||||
| Molecular Weight |
499.581
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN2[C@H](C1)CCOc1cc3nc(C)nc(N[C@H](C)c4cccc(C(F)F)c4F)c3cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N5O/c1-15(2)34-9-10-35-18(14-34)8-11-36-24-13-22-21(12-23(24)35)27(33-17(4)32-22)31-16(3)19-6-5-7-20(25(19)28)26(29)30/h5-7,12-13,15-16,18,26H,8-11,14H2,1-4H3,(H,31,32,33)/t16-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RONNIRFRDOTBOC-AEFFLSMTSA-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 | |||||||||||||||||||
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