General Information of the Compound
| Compound ID |
CP0216499
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| Compound Name |
7-(3-(5-(3,5-dimethylphenyl)-4-(2-(4-(4-ethylhexyl)cyclohexyl)ethyl)-1,6-dihydropentalen-2-yl)-3-methylbut-1-en-2-yl)bicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C37H54N4O2S
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| Molecular Weight |
618.932
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| Canonical SMILES |
CCN(CC)CCOC1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1
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| InChI |
InChI=1S/C37H54N4O2S/c1-7-39(8-2)19-20-43-30-13-16-40(17-14-30)18-15-31-32-24-33(37(5,6)36(42)41-28-9-10-29(41)12-11-28)44-35(32)38-34(31)27-22-25(3)21-26(4)23-27/h21-24,28-30,38H,7-20H2,1-6H3
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| InChIKey |
GGPQGRBMWCVKSK-UHFFFAOYSA-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