General Information of the Compound
| Compound ID |
CP0682149
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| Compound Name |
(E)-3-(4-(((1r,3r,5R,7S)-Adamantan-2-ylidene)(4-hydroxyphenyl)-methyl)phenyl)-N-(2-aminoethyl)acrylamide
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
NCCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C28H32N2O2/c29-11-12-30-26(32)10-3-18-1-4-21(5-2-18)27(22-6-8-25(31)9-7-22)28-23-14-19-13-20(16-23)17-24(28)15-19/h1-10,19-20,23-24,31H,11-17,29H2,(H,30,32)/b10-3+,28-27?
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| InChIKey |
YSZVPNDGHMIVQD-ZMPOMQMESA-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