General Information of the Compound
| Compound ID |
CP0139968
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| Compound Name |
(8S)-N,3-dimethyl-N-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]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)cccc2N1CCNCC1)[C@H]1CCCc2cc(C)cnc12
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| InChI |
InChI=1S/C25H35N5/c1-18-13-19-5-3-8-24(25(19)28-15-18)29(2)17-21-14-22-20(16-27-21)6-4-7-23(22)30-11-9-26-10-12-30/h4,6-7,13,15,21,24,26-27H,3,5,8-12,14,16-17H2,1-2H3/t21-,24+/m1/s1
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| InChIKey |
RSENRXMUUIGFKE-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