General Information of the Compound
| Compound ID |
CP0659822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(3-(4-(2-aminoethyl)piperidin-1-yl)-2-(4'-fluorobiphenyl-3-ylsulfonamido)-3-oxopropyl)benzimidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34FN5O3S
|
||||||||||||||||||
| Molecular Weight |
551.688
|
||||||||||||||||||
| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)C(=O)N2CCC(CCN)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34FN5O3S/c30-25-9-7-22(8-10-25)23-4-2-6-26(19-23)39(37,38)34-27(18-21-3-1-5-24(17-21)28(32)33)29(36)35-15-12-20(11-14-31)13-16-35/h1-10,17,19-20,27,34H,11-16,18,31H2,(H3,32,33)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEPPTJTVNUYLJU-MHZLTWQESA-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