General Information of the Compound
| Compound ID |
CP0470388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E)-3-methylhept-5-en-2-yl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C63H113N11O11
|
||||||||||||||||||
| Molecular Weight |
1200.663
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1NC(=O)[C@H](C(C)C(C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C63H113N11O11/c1-26-28-29-41(15)42(16)53-57(79)66-45(27-2)59(81)68(19)34-50(75)69(20)46(30-35(3)4)56(78)67-51(39(11)12)62(84)70(21)47(31-36(5)6)55(77)64-43(17)54(76)65-44(18)58(80)71(22)48(32-37(7)8)60(82)72(23)49(33-38(9)10)61(83)73(24)52(40(13)14)63(85)74(53)25/h26,28,35-49,51-53H,27,29-34H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t41?,42?,43-,44+,45-,46-,47-,48-,49-,51-,52+,53-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKGFOGQBSWVWRE-VKSGXJPYSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02015, fMet-Leu-Phe receptor