General Information of the Compound
| Compound ID |
CP0476626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31F2NO4
|
||||||||||||||||||
| Molecular Weight |
435.511
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C1)C(=O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31F2NO4/c1-21-5-4-14(29)7-17(21)18(25)8-16-15-6-13-10-27(3)12-23(13,20(31)11-28)22(15,2)9-19(30)24(16,21)26/h4-5,7,13,15-16,18-19,28,30H,6,8-12H2,1-3H3/t13-,15-,16-,18-,19-,21-,22-,23+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYAUPELHUUVSOZ-RNTPBNQHSA-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