General Information of the Compound
| Compound ID |
CP0552377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[(2S)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31ClN6O4S
|
||||||||||||||||||
| Molecular Weight |
607.136
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(O[C@@H](C)C(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31ClN6O4S/c1-4-11-37-24-17-23(32-26(24)28(39)34(3)30(37)40)19-5-8-21(9-6-19)41-18(2)27(38)35-12-14-36(15-13-35)29-33-22-10-7-20(31)16-25(22)42-29/h5-10,16-18,32H,4,11-15H2,1-3H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNEPYPLOIPWHEO-SFHVURJKSA-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