General Information of the Compound
| Compound ID |
CP0860891
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| Compound Name |
(E)-3-(4-(((1r,3r,5R,7S)-Adamantan-2-ylidene)(4-hydroxyphenyl)-methyl)phenyl)-N-(4-hydroxybutyl)acrylamide
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| Structure |
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| Formula |
C30H35NO3
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| Molecular Weight |
457.614
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| Canonical SMILES |
O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCCCCO
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| InChI |
InChI=1S/C30H35NO3/c32-14-2-1-13-31-28(34)12-5-20-3-6-23(7-4-20)29(24-8-10-27(33)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,32-33H,1-2,13-19H2,(H,31,34)/b12-5+,30-29?
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| InChIKey |
KIMGYMDXLACAGA-JVRLFDCWSA-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