General Information of the Compound
| Compound ID |
CP0865585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87336923
Show/Hide
|
||||||||||||||||||
| Formula |
C40H48ClN5O5
|
||||||||||||||||||
| Molecular Weight |
714.307
|
||||||||||||||||||
| Canonical SMILES |
CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13C[C@H]4C[C@@H](C1)C[C@@H](C3)C4)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H48ClN5O5/c1-2-40-31(37(49)44-9-11-45(12-10-44)38(50)33-4-3-13-51-33)17-27(18-34(47)42-23-39-20-24-14-25(21-39)16-26(15-24)22-39)36(48)46(40)8-7-29-30-19-28(41)5-6-32(30)43-35(29)40/h3-6,13,19,24-27,31,43H,2,7-12,14-18,20-23H2,1H3,(H,42,47)/t24-,25+,26-,27-,31-,39?,40+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZMHPRUOJNZDPF-WFTOEURUSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3