General Information of the Compound
| Compound ID |
CP0671624
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| Compound Name |
(E)-3-(4-(((1r,3r,5R,7S)-Adamantan-2-ylidene)(4-hydroxyphenyl)-methyl)phenyl)-N-butylacrylamide
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| Structure |
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| Formula |
C30H35NO2
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| Molecular Weight |
441.615
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| Canonical SMILES |
CCCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C30H35NO2/c1-2-3-14-31-28(33)13-6-20-4-7-23(8-5-20)29(24-9-11-27(32)12-10-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h4-13,21-22,25-26,32H,2-3,14-19H2,1H3,(H,31,33)/b13-6+,30-29?
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| InChIKey |
JZIFICQFFOAPPW-UMHSKIMBSA-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