General Information of the Compound
| Compound ID |
CP0402756
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| Compound Name |
N'-[(1S)-1-(5-methylpyridin-2-yl)ethyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C22H32N4
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| Molecular Weight |
352.526
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| Canonical SMILES |
C[C@H](N(CCCCN)C[C@H]1Cc2ccccc2CN1)c1ccc(C)cn1
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| InChI |
InChI=1S/C22H32N4/c1-17-9-10-22(25-14-17)18(2)26(12-6-5-11-23)16-21-13-19-7-3-4-8-20(19)15-24-21/h3-4,7-10,14,18,21,24H,5-6,11-13,15-16,23H2,1-2H3/t18-,21+/m0/s1
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| InChIKey |
VDVDBVDCSZIDCF-GHTZIAJQSA-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