General Information of the Compound
| Compound ID |
CP0446329
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| Compound Name |
2-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]ethanol
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| Structure |
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| Formula |
C25H35N5O
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| Molecular Weight |
421.589
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| Canonical SMILES |
OCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H35N5O/c31-15-14-30(24-8-1-4-19-6-3-9-27-25(19)24)18-21-16-22-20(17-28-21)5-2-7-23(22)29-12-10-26-11-13-29/h2-3,5-7,9,21,24,26,28,31H,1,4,8,10-18H2/t21-,24+/m1/s1
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| InChIKey |
SIHICXDUEJZQEF-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