General Information of the Compound
| Compound ID |
CP0532972
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| Compound Name |
N'-[(3-fluoro-5-methylpyridin-2-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C21H29FN4
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| Molecular Weight |
356.489
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| Canonical SMILES |
Cc1cnc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)c(F)c1
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| InChI |
InChI=1S/C21H29FN4/c1-16-10-20(22)21(25-12-16)15-26(9-5-4-8-23)14-19-11-17-6-2-3-7-18(17)13-24-19/h2-3,6-7,10,12,19,24H,4-5,8-9,11,13-15,23H2,1H3/t19-/m1/s1
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| InChIKey |
JNMZZXDIGNVESH-LJQANCHMSA-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