General Information of the Compound
| Compound ID |
CP0473708
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| Compound Name |
N'-[(5-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)Cc1ccc(Cl)cn1
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| InChI |
InChI=1S/C20H27ClN4/c21-18-7-8-19(24-13-18)14-25(10-4-3-9-22)15-20-11-16-5-1-2-6-17(16)12-23-20/h1-2,5-8,13,20,23H,3-4,9-12,14-15,22H2/t20-/m1/s1
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| InChIKey |
UEVVLACOQRQXSW-HXUWFJFHSA-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