General Information of the Compound
| Compound ID |
CP0756569
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| Compound Name |
(S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5,6,7,8,11,12,13,14-octahydrobenzo[14]annulene
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| Structure |
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| Formula |
C19H22O5
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| Molecular Weight |
330.38
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| Canonical SMILES |
COc1cc(O)c2c(c1)/C=C\CCCC(=O)/C=C/C[C@H](C)OC2=O
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| InChI |
InChI=1S/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/m0/s1
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| InChIKey |
HRKYCRIVTWSVJU-ZONRLMOZSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000001 | Jurkat | Homo sapiens (Human) | 2 |
| 1 |
IC50 = 15400 nM
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TI
LI
LO
TS
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| 2 |
IC50 = 19500 nM
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TI
LI
LO
TS
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