General Information of the Compound
| Compound ID |
CP0955473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)pentanedioic acid Trifluoroacetic acid salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40F3N5O11
|
||||||||||||||||||
| Molecular Weight |
727.69
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)n1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N5O9.C2HF3O2/c1-3-5-6-8-21(25(4-2)35(44)18-36)28(40)31-17-32-29(41)23-10-7-9-22(33-23)19-11-13-20(14-12-19)27(39)34-24(30(42)43)15-16-26(37)38;3-2(4,5)1(6)7/h7,9-14,18,21,24-25,44H,3-6,8,15-17H2,1-2H3,(H,31,40)(H,32,41)(H,34,39)(H,37,38)(H,42,43);(H,6,7)/t21-,24+,25-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AESNQDKYBMHMQI-HDFQZRMESA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2