General Information of the Compound
| Compound ID |
CP0500759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(4R)-4-[(2S,12R,18R,19S)-12,19-dihydroxy-6-[(3-hydroxyphenyl)methyl]-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-yl]pentanoyl]amino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47N3O6
|
||||||||||||||||||
| Molecular Weight |
593.765
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3C[C@H](O)[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47N3O6/c1-19(7-10-30(41)35-16-31(42)43)24-8-9-25-32-26(14-29(40)34(24,25)3)33(2)15-21-18-37(17-20-5-4-6-23(38)11-20)36-27(21)12-22(33)13-28(32)39/h4-6,11,18-19,22,24-26,28-29,32,38-40H,7-10,12-17H2,1-3H3,(H,35,41)(H,42,43)/t19-,22?,24?,25?,26?,28-,29+,32?,33+,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHSFIXYDCGBFTD-XXOJNHFHSA-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