General Information of the Compound
| Compound ID |
CP0922735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8952128, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C78H102N16O9S
|
||||||||||||||||||
| Molecular Weight |
1439.844
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C78H102N16O9S/c1-48(95)69-77(103)92-63(39-49-20-6-3-7-21-49)70(96)83-34-17-15-29-60(82-36-37-104-47-52-38-57-56-27-18-31-59-68(56)54(45-86-59)43-67(57)94(2)46-52)71(97)87-62(32-19-35-84-78(80)81)72(98)89-64(40-50-22-8-4-9-23-50)74(100)90-65(41-51-24-10-5-11-25-51)75(101)91-66(42-53-44-85-58-28-13-12-26-55(53)58)76(102)88-61(73(99)93-69)30-14-16-33-79/h3-13,18,20-28,31,44-45,48,52,57,60-67,69,82,85-86,95H,14-17,19,29-30,32-43,46-47,79H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,80,81,84)/t48-,52-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLNOIVAKZZSAAF-AJOPKFPVSA-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