General Information of the Compound
| Compound ID |
CP0380880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H47N5O5S
|
||||||||||||||||||
| Molecular Weight |
673.88
|
||||||||||||||||||
| Canonical SMILES |
CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H47N5O5S/c1-5-40-20-25-12-13-26(21-40)42(25)36(44)37-19-31(37)30-18-27(47-4)14-16-28(30)34-33(23-9-7-6-8-10-23)29-15-11-24(17-32(29)41(34)22-37)35(43)38-48(45,46)39(2)3/h11,14-18,23,25-26,31H,5-10,12-13,19-22H2,1-4H3,(H,38,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTTZZZXOFXUQFU-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 | |||||||||||||||||||
| 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