General Information of the Compound
| Compound ID |
CP0382935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-methylpiperazin-1-yl)-N-[(1S)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-[3-(4-methylpiperazin-1-yl)propanoylamino]-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C58H68N10O4S2
|
||||||||||||||||||
| Molecular Weight |
1033.382
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCC(=O)N[C@@H](C(=O)N2CCC[C@H]2c2ncc(s2)-c2ccc(cc2)-c2ccc(cc2)-c2cnc(s2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CCN2CCN(C)CC2)c2ccccc2)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C58H68N10O4S2/c1-63-31-35-65(36-32-63)29-25-51(69)61-53(45-11-5-3-6-12-45)57(71)67-27-9-15-47(67)55-59-39-49(73-55)43-21-17-41(18-22-43)42-19-23-44(24-20-42)50-40-60-56(74-50)48-16-10-28-68(48)58(72)54(46-13-7-4-8-14-46)62-52(70)26-30-66-37-33-64(2)34-38-66/h3-8,11-14,17-24,39-40,47-48,53-54H,9-10,15-16,25-38H2,1-2H3,(H,61,69)(H,62,70)/t47-,48-,53-,54+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTTUYLDGVOBKBA-UJDALRRNSA-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