General Information of the Compound
| Compound ID |
CP0137453
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| Compound Name |
(3S)-N-(4-methylpiperazin-1-yl)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
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| Structure |
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| Formula |
C25H36N6
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| Molecular Weight |
420.605
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| Canonical SMILES |
CN(C[C@@H]1Cc2c(CN1)cccc2NN1CCN(C)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H36N6/c1-29-12-14-31(15-13-29)28-23-9-3-7-20-17-27-21(16-22(20)23)18-30(2)24-10-4-6-19-8-5-11-26-25(19)24/h3,5,7-9,11,21,24,27-28H,4,6,10,12-18H2,1-2H3/t21-,24-/m0/s1
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| InChIKey |
SVWVXBQDFIMNCL-URXFXBBRSA-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