General Information of the Compound
| Compound ID |
CP0475894
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| Compound Name |
(8S)-N-ethyl-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 |
CCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H35N5/c1-2-29(24-10-3-6-19-8-5-11-27-25(19)24)18-21-16-22-20(17-28-21)7-4-9-23(22)30-14-12-26-13-15-30/h4-5,7-9,11,21,24,26,28H,2-3,6,10,12-18H2,1H3/t21-,24+/m1/s1
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| InChIKey |
SIXBBSBNDNEWTQ-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