General Information of the Compound
| Compound ID |
CP0384233
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| Compound Name |
5-(anthracen-9-ylmethylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
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| Structure |
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| Formula |
C31H34N2O2
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| Molecular Weight |
466.625
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| Canonical SMILES |
COc1ccc(cc1OC)C(CCCNCc1c2ccccc2cc2ccccc12)(C#N)C(C)C
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| InChI |
InChI=1S/C31H34N2O2/c1-22(2)31(21-32,25-14-15-29(34-3)30(19-25)35-4)16-9-17-33-20-28-26-12-7-5-10-23(26)18-24-11-6-8-13-27(24)28/h5-8,10-15,18-19,22,33H,9,16-17,20H2,1-4H3
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| InChIKey |
LTJIEICMUPPKGH-UHFFFAOYSA-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