General Information of the Compound
| Compound ID |
CP0515364
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| Compound Name |
(E)-3-(3'-Adamantan-1-yl-4'-hydroxy-biphenyl-4-yl)-N-(4-hydroxy-phenyl)-acrylamide
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| Structure |
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| Formula |
C31H31NO3
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| Molecular Weight |
465.593
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| Canonical SMILES |
Oc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C31H31NO3/c33-27-9-7-26(8-10-27)32-30(35)12-3-20-1-4-24(5-2-20)25-6-11-29(34)28(16-25)31-17-21-13-22(18-31)15-23(14-21)19-31/h1-12,16,21-23,33-34H,13-15,17-19H2,(H,32,35)/b12-3+
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| InChIKey |
CCCIHAQNDCTXTJ-KGVSQERTSA-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