General Information of the Compound
| Compound ID |
CP0427373
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-(4-pyridin-2-ylpiperazin-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 |
C29H36N6
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| Molecular Weight |
468.649
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C29H36N6/c1-33(27-11-4-7-22-9-6-14-31-29(22)27)21-24-19-25-23(20-32-24)8-5-10-26(25)34-15-17-35(18-16-34)28-12-2-3-13-30-28/h2-3,5-6,8-10,12-14,24,27,32H,4,7,11,15-21H2,1H3/t24-,27+/m1/s1
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| InChIKey |
BYRBAVZUSYTLIS-SQHAQQRYSA-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