General Information of the Compound
| Compound ID |
CP0416449
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| Compound Name |
N'-[(8S)-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C24H34N4
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| Molecular Weight |
378.564
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| Canonical SMILES |
Cc1cnc2[C@H](CCCc2c1)N(CCCCN)C[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C24H34N4/c1-18-13-20-9-6-10-23(24(20)27-15-18)28(12-5-4-11-25)17-22-14-19-7-2-3-8-21(19)16-26-22/h2-3,7-8,13,15,22-23,26H,4-6,9-12,14,16-17,25H2,1H3/t22-,23+/m1/s1
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| InChIKey |
PULIGFJJHXWMCU-PKTZIBPZSA-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