General Information of the Compound
| Compound ID |
CP0072954
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-[4-(pyridin-2-ylmethyl)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 |
C30H38N6
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| Molecular Weight |
482.676
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C30H38N6/c1-34(29-12-4-7-23-9-6-14-32-30(23)29)21-26-19-27-24(20-33-26)8-5-11-28(27)36-17-15-35(16-18-36)22-25-10-2-3-13-31-25/h2-3,5-6,8-11,13-14,26,29,33H,4,7,12,15-22H2,1H3/t26-,29+/m1/s1
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| InChIKey |
LBZXHERSMUUNEG-UHSQPCAPSA-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