General Information of the Compound
| Compound ID |
CP0953689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-((S)-1-(1-(14-((6-(tert-Butylsulfonyl)-4-((4,5-dimethyl-1H-pyrazol-3-yl)amino)quinazolin-7-l)oxy)-3,6,9,12-tetraoxatetradecanoyl)piperidin-4-yl)-2-((S)-2-(4-(4-fluorobenzoyl)-thiazol-2-l)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)-propanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C52H69FN10O11S2
|
||||||||||||||||||
| Molecular Weight |
1093.315
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C(=O)COCCOCCOCCOCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H69FN10O11S2/c1-32-33(2)60-61-47(32)59-48-38-27-43(76(68,69)52(4,5)6)42(28-39(38)55-31-56-48)74-26-25-72-22-21-70-19-20-71-23-24-73-29-44(64)62-17-14-35(15-18-62)45(58-49(66)34(3)54-7)51(67)63-16-8-9-41(63)50-57-40(30-75-50)46(65)36-10-12-37(53)13-11-36/h10-13,27-28,30-31,34-35,41,45,54H,8-9,14-26,29H2,1-7H3,(H,58,66)(H2,55,56,59,60,61)/t34-,41-,45-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVJZKHRNSISZEZ-QOCICEDNSA-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