General Information of the Compound
| Compound ID |
CP0389332
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| Compound Name |
(8S)-N-[[(3R)-5-(4-cyclopropylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C27H37N5
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| Molecular Weight |
431.628
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H37N5/c1-30(26-9-2-5-20-7-4-12-28-27(20)26)19-22-17-24-21(18-29-22)6-3-8-25(24)32-15-13-31(14-16-32)23-10-11-23/h3-4,6-8,12,22-23,26,29H,2,5,9-11,13-19H2,1H3/t22-,26+/m1/s1
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| InChIKey |
FGBKVLILEJEKEB-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