General Information of the Compound
| Compound ID |
CP0889528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-({[4-chloro({4-[3-(dimethylamino)propoxy]phenyl}sulfonyl)anilino]acetyl}hydrazono)-2-oxo-2,3-dihydro-1H-indole-7-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C28H28ClN5O7S
|
||||||||||||||||||
| Molecular Weight |
614.08
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3c(C(=O)O)cccc23)c2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28ClN5O7S/c1-33(2)15-4-16-41-20-11-13-21(14-12-20)42(39,40)34(19-9-7-18(29)8-10-19)17-24(35)31-32-26-22-5-3-6-23(28(37)38)25(22)30-27(26)36/h3,5-14,30,36H,4,15-17H2,1-2H3,(H,37,38)/b32-31+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUFZXBPFZRPAOZ-QNEJGDQOSA-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor