General Information of the Compound
| Compound ID |
CP0475927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[6-[(1S,2R)-2-(methoxymethyl)cyclopropyl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39N5O7
|
||||||||||||||||||
| Molecular Weight |
581.67
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@H]1COC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N5O7/c1-3-4-16-42-30(40)35-14-12-34(13-15-35)29(39)23(10-11-26(36)37)33-28(38)25-18-24(22-17-21(22)19-41-2)31-27(32-25)20-8-6-5-7-9-20/h5-9,18,21-23H,3-4,10-17,19H2,1-2H3,(H,33,38)(H,36,37)/t21-,22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYWHVURROUEYNL-VABKMULXSA-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