General Information of the Compound
| Compound ID |
CP0545492
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| Compound Name |
N'-[(4-chloropyridin-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 |
C20H27ClN4
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| Molecular Weight |
358.917
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc(Cl)ccn1
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| InChI |
InChI=1S/C20H27ClN4/c21-18-7-9-23-20(12-18)15-25(10-4-3-8-22)14-19-11-16-5-1-2-6-17(16)13-24-19/h1-2,5-7,9,12,19,24H,3-4,8,10-11,13-15,22H2/t19-/m1/s1
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| InChIKey |
JQOSTHWRSSVYQA-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