General Information of the Compound
| Compound ID |
CP0947850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID92763655
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H55N5O2S2
|
||||||||||||||||||
| Molecular Weight |
726.069
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C[C@H]2CNC(=S)N2CC2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H55N5O2S2/c48-39-18-14-32(15-19-39)23-36-26-43-41(50)45(36)29-35-13-8-22-44(35)28-37(24-31-9-6-3-7-10-31)47-30-38(25-33-16-20-40(49)21-17-33)46(42(47)51)27-34-11-4-1-2-5-12-34/h3,6-7,9-10,14-21,34-38,48-49H,1-2,4-5,8,11-13,22-30H2,(H,43,50)/t35?,36-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMUQRGSDGTXYBZ-MYHQZBQWSA-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