General Information of the Compound
| Compound ID |
CP0422705
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| Compound Name |
(8S)-N-[[(3R)-5-(4-aminopiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C25H35N5
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| Molecular Weight |
405.59
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCC(N)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H35N5/c1-29(24-9-2-5-18-7-4-12-27-25(18)24)17-21-15-22-19(16-28-21)6-3-8-23(22)30-13-10-20(26)11-14-30/h3-4,6-8,12,20-21,24,28H,2,5,9-11,13-17,26H2,1H3/t21-,24+/m1/s1
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| InChIKey |
FJNABJTWQQVNLL-QPPBQGQZSA-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