General Information of the Compound
| Compound ID |
CP0569678
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| Compound Name |
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C21H27F3N4
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| Molecular Weight |
392.469
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C21H27F3N4/c22-21(23,24)19-8-5-10-26-20(19)15-28(11-4-3-9-25)14-18-12-16-6-1-2-7-17(16)13-27-18/h1-2,5-8,10,18,27H,3-4,9,11-15,25H2/t18-/m1/s1
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| InChIKey |
DMQMHHRBCSYHSH-GOSISDBHSA-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