General Information of the Compound
| Compound ID |
CP0911501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl {(S)-1-[(S)-2-(5-{4-[(2-{(S)-1-[(R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)buta-1,3-diynyl]-3-(4-methylpiperazin-1-yl)phenyl}-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-2-methylpropyl}carbamate dihydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C46H56Cl2N10O6
|
||||||||||||||||||
| Molecular Weight |
915.924
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(C#CC#Cc3cnc([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)[nH]3)c(N3CCN(C)CC3)c2)[nH]1)C(C)C.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H54N10O6.2ClH/c1-30(2)39(51-45(59)61-4)43(57)55-21-12-18-37(55)42-48-29-35(50-42)33-20-19-31(38(27-33)54-25-23-53(3)24-26-54)13-9-10-16-34-28-47-41(49-34)36-17-11-22-56(36)44(58)40(52-46(60)62-5)32-14-7-6-8-15-32;;/h6-8,14-15,19-20,27-30,36-37,39-40H,11-12,17-18,21-26H2,1-5H3,(H,47,49)(H,48,50)(H,51,59)(H,52,60);2*1H/t36-,37-,39-,40+;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXEYGTAOOLIULQ-ZCXCRYNXSA-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