General Information of the Compound
| Compound ID |
CP0422905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
17beta-Hydroxy-11beta-{4-[1-methyl-3-(5-carboxypentyl)-ureido]-phenyl}-17alpha-(1-propinyl)-estra-4,9-dien-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H44N2O5
|
||||||||||||||||||
| Molecular Weight |
572.746
|
||||||||||||||||||
| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)NCCCCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H44N2O5/c1-4-18-35(42)19-17-30-28-15-11-24-21-26(38)14-16-27(24)32(28)29(22-34(30,35)2)23-9-12-25(13-10-23)37(3)33(41)36-20-7-5-6-8-31(39)40/h9-10,12-13,21,28-30,42H,5-8,11,14-17,19-20,22H2,1-3H3,(H,36,41)(H,39,40)/t28-,29+,30-,34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAGNWRAPFLBXLB-CTBBFHLNSA-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