General Information of the Compound
| Compound ID |
CP0121724
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| Compound Name |
(E)-3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(=O)NO)cc1
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| InChI |
InChI=1S/C26H29NO3/c1-30-24-8-7-22(21-5-2-17(3-6-21)4-9-25(28)27-29)13-23(24)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20,29H,10-12,14-16H2,1H3,(H,27,28)/b9-4+
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| InChIKey |
XQHSUPFWQCTNGV-RUDMXATFSA-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