General Information of the Compound
| Compound ID |
CP0010012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[11-[[(4aR,5aS,8aR,13aS,15aS,15bR)-14-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-10-yl]amino]-11-oxoundecyl]octanediamide
Show/Hide
|
||||||||||||||||||
| Formula |
C72H98N8O8
|
||||||||||||||||||
| Molecular Weight |
1203.624
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCCCC(=O)NCCCCCCCCCCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1)NCCCCCCCCCCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C72H98N8O8/c81-61(73-33-19-13-7-3-1-5-9-17-23-63(83)75-49-25-27-55-53(39-49)71-31-35-77-45-47-29-37-87-57-43-65(85)79(55)69(71)67(57)51(47)41-59(71)77)21-15-11-12-16-22-62(82)74-34-20-14-8-4-2-6-10-18-24-64(84)76-50-26-28-56-54(40-50)72-32-36-78-46-48-30-38-88-58-44-66(86)80(56)70(72)68(58)52(48)42-60(72)78/h25-30,39-40,51-52,57-60,67-70H,1-24,31-38,41-46H2,(H,73,81)(H,74,82)(H,75,83)(H,76,84)/t51-,52-,57-,58-,59-,60-,67-,68-,69-,70-,71+,72+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSCBBEKAPHDDAN-ZZSDGBHCSA-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