General Information of the Compound
| Compound ID |
CP0865368
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H48N8O7
|
||||||||||||||||||
| Molecular Weight |
824.939
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc4c(cc3c2[nH]1)OCc1cc(-c2cnc([C@@H]3CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)[nH]2)ccc1-4)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H48N8O7/c1-25(2)38(51-45(57)59-3)43(55)54-19-9-13-36(54)42-48-33-17-15-27-21-32-30-16-14-28(20-29(30)24-61-37(32)22-31(27)40(33)50-42)34-23-47-41(49-34)35-12-8-18-53(35)44(56)39(52-46(58)60-4)26-10-6-5-7-11-26/h5-7,10-11,14-17,20-23,25,35-36,38-39H,8-9,12-13,18-19,24H2,1-4H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t35-,36-,38-,39+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVEFLDYGGVMSRF-HXSJKTFTSA-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