General Information of the Compound
| Compound ID |
CP0931253
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H54N8O7
|
||||||||||||||||||
| Molecular Weight |
818.976
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(ccc5nc([C@@H]6CC[C@H](C)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)cc2-3)[nH]1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H54N8O7/c1-22(2)37(50-44(56)58-7)42(54)52-24(5)9-15-34(52)40-46-20-33(48-40)27-11-13-29-28(17-27)21-60-36-19-30-26(18-31(29)36)12-14-32-39(30)49-41(47-32)35-16-10-25(6)53(35)43(55)38(23(3)4)51-45(57)59-8/h11-14,17-20,22-25,34-35,37-38H,9-10,15-16,21H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t24-,25-,34-,35-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJVIVJVKYOMANY-GEWDOAPNSA-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