General Information of the Compound
| Compound ID |
CP0560300
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| Compound Name |
4-[[4-(2-aminoethyl)-2-methylphenyl]methyl]-N-ethyl-2-propan-2-ylaniline
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| Formula |
C21H30N2
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| Molecular Weight |
310.485
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| Canonical SMILES |
CCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C
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| InChI |
InChI=1S/C21H30N2/c1-5-23-21-9-7-18(14-20(21)15(2)3)13-19-8-6-17(10-11-22)12-16(19)4/h6-9,12,14-15,23H,5,10-11,13,22H2,1-4H3
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| InChIKey |
DNTOLFXKMLZNNX-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