General Information of the Compound
| Compound ID |
CP0457107
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| Compound Name |
[4-(2-aminophenyl)-5-pentyl-2,6-di(propan-2-yl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C23H34N2O
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| Molecular Weight |
354.538
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| Canonical SMILES |
CCCCCc1c(nc(C(C)C)c(CO)c1-c1ccccc1N)C(C)C
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| InChI |
InChI=1S/C23H34N2O/c1-6-7-8-12-18-21(17-11-9-10-13-20(17)24)19(14-26)23(16(4)5)25-22(18)15(2)3/h9-11,13,15-16,26H,6-8,12,14,24H2,1-5H3
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| InChIKey |
UBEPTLIFCNGLBL-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