General Information of the Compound
| Compound ID |
CP0499637
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| Compound Name |
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-(furan-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C31H32N2O4
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| Molecular Weight |
496.607
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)NCc1ccco1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C31H32N2O4/c34-29(33-26-4-1-3-24(16-26)30(35)32-20-28-5-2-11-36-28)10-12-37-27-8-6-25(7-9-27)31-17-21-13-22(18-31)15-23(14-21)19-31/h1-12,16,21-23H,13-15,17-20H2,(H,32,35)(H,33,34)/b12-10+
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| InChIKey |
UCYWBDAOQZXMRD-ZRDIBKRKSA-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