General Information of the Compound
| Compound ID |
CP0145164
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| Compound Name |
(8S)-N-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H37N5
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| Molecular Weight |
419.617
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| Canonical SMILES |
CC(C)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H37N5/c1-19(2)31(25-10-3-6-20-8-5-11-28-26(20)25)18-22-16-23-21(17-29-22)7-4-9-24(23)30-14-12-27-13-15-30/h4-5,7-9,11,19,22,25,27,29H,3,6,10,12-18H2,1-2H3/t22-,25+/m1/s1
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| InChIKey |
MOEVWTMNJQTKGX-RDGATRHJSA-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