General Information of the Compound
| Compound ID |
CP0425560
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| Compound Name |
N'-[(3-tert-butylpyridin-2-yl)methyl]-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine
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| Structure |
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| Formula |
C21H32N4
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| Molecular Weight |
340.515
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| Canonical SMILES |
CC(N(CCCCN)Cc1ncccc1C(C)(C)C)c1ccccn1
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| InChI |
InChI=1S/C21H32N4/c1-17(19-11-5-7-13-23-19)25(15-8-6-12-22)16-20-18(21(2,3)4)10-9-14-24-20/h5,7,9-11,13-14,17H,6,8,12,15-16,22H2,1-4H3
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| InChIKey |
OSJFHDCHORASQE-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