General Information of the Compound
| Compound ID |
CP0376665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,6S,9S,15R,21S,24S,27S)-3,21-dibenzyl-6-[3-(diaminomethylideneamino)propyl]-24-methyl-2,5,8,14,20,23,26,29-octaoxo-1,4,7,13,19,22,25,28-octazapentacyclo[28.8.0.09,13.015,19.032,37]octatriaconta-32,34,36-trien-27-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H64N12O9
|
||||||||||||||||||
| Molecular Weight |
989.148
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H64N12O9/c1-30-43(65)59-37(25-31-13-4-2-5-14-31)48(70)62-24-12-21-40(62)50(72)61-23-11-20-39(61)46(68)57-35(19-10-22-55-51(53)54)44(66)60-38(26-32-15-6-3-7-16-32)49(71)63-29-34-18-9-8-17-33(34)27-41(63)47(69)58-36(28-42(52)64)45(67)56-30/h2-9,13-18,30,35-41H,10-12,19-29H2,1H3,(H2,52,64)(H,56,67)(H,57,68)(H,58,69)(H,59,65)(H,60,66)(H4,53,54,55)/t30-,35-,36-,37-,38-,39-,40+,41?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJLMERSXOXCYCN-HMHDQFTJSA-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