General Information of the Compound
| Compound ID |
CP0573076
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-[(1S,2R,13S,14S,17R,18R)-7-acetyl-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H48N4O2S
|
||||||||||||||||||
| Molecular Weight |
612.884
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(=O)Nc1nc2c(C)cccc2s1)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)cnn5C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H48N4O2S/c1-21(11-16-31(43)39-34-40-32-22(2)9-8-10-29(32)44-34)26-13-14-27-25-12-15-30-35(4,5)33-24(20-38-41(33)23(3)42)19-37(30,7)28(25)17-18-36(26,27)6/h8-10,15,20-21,25-28H,11-14,16-19H2,1-7H3,(H,39,40,43)/t21-,25+,26-,27+,28+,36-,37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSFOHXXXAMNJBS-AGVBZOQSSA-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