General Information of the Compound
| Compound ID |
CP0428530
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| Compound Name |
(R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6,6-trimethylcyclohex-1-enyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
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| Structure |
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| Formula |
C24H32N2O2
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| Molecular Weight |
380.532
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| Canonical SMILES |
COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)n1ccnc1
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| InChI |
InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+/t22-/m1/s1
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| InChIKey |
LEOKNFOQHCUMCU-SRXKHEPPSA-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