General Information of the Compound
| Compound ID |
CP0751777
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| Compound Name |
Anibamine
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| Structure |
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| Formula |
C32H50F3NO2
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| Molecular Weight |
537.751
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| Canonical SMILES |
CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C30H50N.C2HF3O2/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2;3-2(4,5)1(6)7/h19-20,22-23H,5-18,21,24-25H2,1-4H3;(H,6,7)/q+1;/p-1/b22-19-,23-20-;
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| InChIKey |
IMNADGBFDKRXGY-HDZLQULISA-M
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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: PT00903, C-C chemokine receptor type 5
Cell Viability or Cytotoxicity Assay