General Information of the Compound
| Compound ID |
CP0525668
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| Compound Name |
N'-(1-pyridin-2-ylethyl)-N'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C18H23F3N4
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| Molecular Weight |
352.404
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| Canonical SMILES |
CC(N(CCCCN)Cc1ncccc1C(F)(F)F)c1ccccn1
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| InChI |
InChI=1S/C18H23F3N4/c1-14(16-8-2-4-10-23-16)25(12-5-3-9-22)13-17-15(18(19,20)21)7-6-11-24-17/h2,4,6-8,10-11,14H,3,5,9,12-13,22H2,1H3
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| InChIKey |
NXOVWJQOIFZYII-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