General Information of the Compound
| Compound ID |
CP0767383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(4-(2-ureidoethyl)piperidin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38N8O5S
|
||||||||||||||||||
| Molecular Weight |
586.719
|
||||||||||||||||||
| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(N)=O)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N8O5S/c28-11-7-24(36)33-21-5-2-6-22(17-21)41(39,40)34-23(16-19-3-1-4-20(15-19)25(29)30)26(37)35-13-9-18(10-14-35)8-12-32-27(31)38/h1-6,15,17-18,23,34H,7-14,16,28H2,(H3,29,30)(H,33,36)(H3,31,32,38)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQKMPCIOUAQJIR-QHCPKHFHSA-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