General Information of the Compound
| Compound ID |
CP0489180
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| Compound Name |
2,2-dimethyl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-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 |
C25H36N4
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| Molecular Weight |
392.591
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| Canonical SMILES |
CC(C)(CCN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H36N4/c1-25(2,12-13-26)18-29(23-11-5-9-19-10-6-14-27-24(19)23)17-22-15-20-7-3-4-8-21(20)16-28-22/h3-4,6-8,10,14,22-23,28H,5,9,11-13,15-18,26H2,1-2H3/t22-,23+/m1/s1
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| InChIKey |
NRNCSKFZIIWUCS-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