General Information of the Compound
| Compound ID |
CP0955246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-((S)-2-((S)-1-((2S,5S,8S,11S,14S,17S)-11-((1H-imidazol-5-yl)methyl)-17-amino-5-(3-guanidinopropyl)-8-(hydroxymethyl)-14-isobutyl-2-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecane)pyrrolidine-2-carboxamido)-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C48H74N14O11
|
||||||||||||||||||
| Molecular Weight |
1023.207
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C48H74N14O11/c1-26(2)20-32(56-39(64)28(5)49)41(66)57-33(22-30-23-52-25-54-30)42(67)59-35(24-63)43(68)55-31(14-9-17-53-48(50)51)40(65)60-38(27(3)4)46(71)61-18-10-15-36(61)44(69)58-34(21-29-12-7-6-8-13-29)45(70)62-19-11-16-37(62)47(72)73/h6-8,12-13,23,25-28,31-38,63H,9-11,14-22,24,49H2,1-5H3,(H,52,54)(H,55,68)(H,56,64)(H,57,66)(H,58,69)(H,59,67)(H,60,65)(H,72,73)(H4,50,51,53)/t28-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLVWSVURRUSBJJ-HQFMLFMQSA-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 | |||||||||||||||||||
| 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