General Information of the Compound
| Compound ID |
CP0551069
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| Compound Name |
(E)-3-[4-[11-(2-methylpropyl)-3,11-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-12-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C24H26N2O2
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| Molecular Weight |
374.484
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| Canonical SMILES |
CC(C)CN1CCc2cccc3[nH]cc(C1c1ccc(\C=C\C(O)=O)cc1)c23
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| InChI |
InChI=1S/C24H26N2O2/c1-16(2)15-26-13-12-18-4-3-5-21-23(18)20(14-25-21)24(26)19-9-6-17(7-10-19)8-11-22(27)28/h3-11,14,16,24-25H,12-13,15H2,1-2H3,(H,27,28)/b11-8+
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| InChIKey |
FJOTVKIMZYPXQE-DHZHZOJOSA-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