General Information of the Compound
| Compound ID |
CP0428477
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| Compound Name |
N'-[[(2R)-piperazin-2-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C18H31N5
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| Molecular Weight |
317.481
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| Canonical SMILES |
NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C18H31N5/c19-8-1-2-12-23(14-16-13-20-10-11-21-16)17-7-3-5-15-6-4-9-22-18(15)17/h4,6,9,16-17,20-21H,1-3,5,7-8,10-14,19H2/t16-,17+/m1/s1
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| InChIKey |
NIFWLIOQZQVIEH-SJORKVTESA-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