General Information of the Compound
| Compound ID |
CP0155427
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| Compound Name |
(E)-3-[4-(1-adamantyl)phenoxy]-N-[3-(4-prop-2-ynoxybenzoyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C35H33NO4
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| Molecular Weight |
531.652
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C35H33NO4/c1-2-15-39-31-10-6-27(7-11-31)34(38)28-4-3-5-30(20-28)36-33(37)14-16-40-32-12-8-29(9-13-32)35-21-24-17-25(22-35)19-26(18-24)23-35/h1,3-14,16,20,24-26H,15,17-19,21-23H2,(H,36,37)/b16-14+
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| InChIKey |
WBBJFJPWRHKQOD-JQIJEIRASA-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