General Information of the Compound
| Compound ID |
CP0237516
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-[4-(oxetan-3-yl)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 |
C27H37N5O
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| Molecular Weight |
447.627
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H37N5O/c1-30(26-9-2-5-20-7-4-10-28-27(20)26)17-22-15-24-21(16-29-22)6-3-8-25(24)32-13-11-31(12-14-32)23-18-33-19-23/h3-4,6-8,10,22-23,26,29H,2,5,9,11-19H2,1H3/t22-,26+/m1/s1
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| InChIKey |
PCBQJZTYHMSROB-GJZUVCINSA-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