General Information of the Compound
| Compound ID |
CP0516431
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| Compound Name |
(S)-N1-((3-methylpyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine
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| Structure |
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| Formula |
C18H26N4
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| Molecular Weight |
298.434
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| Canonical SMILES |
C[C@H](N(CCCCN)Cc1ncccc1C)c1ccccn1
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| InChI |
InChI=1S/C18H26N4/c1-15-8-7-12-21-18(15)14-22(13-6-4-10-19)16(2)17-9-3-5-11-20-17/h3,5,7-9,11-12,16H,4,6,10,13-14,19H2,1-2H3/t16-/m0/s1
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| InChIKey |
RBHWCOADLGGSPS-INIZCTEOSA-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