General Information of the Compound
| Compound ID |
CP0578581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4865069
Show/Hide
|
||||||||||||||||||
| Formula |
C82H123ClN6O15S
|
||||||||||||||||||
| Molecular Weight |
1500.433
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCOCCOCCCCCC[C@@H](C)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C82H123ClN6O15S/c1-62(73-23-24-74-71-22-17-66-58-70(90)25-28-81(66,2)75(71)26-29-82(73,74)3)12-7-5-6-10-32-92-34-36-94-38-40-96-42-43-98-44-45-99-48-49-101-52-53-103-61-68-60-88(87-86-68)31-33-93-35-37-95-39-41-97-46-47-100-50-51-102-54-55-104-77-57-65(27-30-85-77)64-14-11-13-63(56-64)59-89(69-20-18-67(84-4)19-21-69)80(91)79-78(83)72-15-8-9-16-76(72)105-79/h8-9,11,13-17,27,30,56-57,60,62,67,69-71,73-75,84,90H,5-7,10,12,18-26,28-29,31-55,58-59,61H2,1-4H3/t62-,67-,69-,70+,71+,73?,74+,75+,81+,82-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSQIWOALEHRQFM-UVQJTJEZSA-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