General Information of the Compound
| Compound ID |
CP0894987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(S)-cyclopentyl-[[(2S)-2-[6-[6-[2-[(2S)-1-[(2S)-2-cyclopentyl-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-naphthyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]amino]methyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H55N9O6
|
||||||||||||||||||
| Molecular Weight |
830.003
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCCC6)[nH]5)ccc4c3)cc2[nH]1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H55N9O6/c1-60-45(58)51-39(27-9-3-4-10-27)43(56)54-21-7-13-37(54)41-47-26-36(50-41)33-18-17-29-23-30(15-16-31(29)24-33)32-19-20-34-35(25-32)49-42(48-34)38-14-8-22-55(38)44(57)52-40(53-46(59)61-2)28-11-5-6-12-28/h15-20,23-28,37-40H,3-14,21-22H2,1-2H3,(H,47,50)(H,48,49)(H,51,58)(H,52,57)(H,53,59)/t37-,38-,39-,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPQHRRZYFKAUAT-YKKXUYLKSA-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