General Information of the Compound
| Compound ID |
CP0240542
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| Compound Name |
(4aR,10bS)-1-[[(3R)-5-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
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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 |
CN1CCN(CC1)c1cccc2CN[C@@H](CN3CCC[C@H]4CCc5cccnc5[C@@H]34)Cc12
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| InChI |
InChI=1S/C27H37N5/c1-30-13-15-31(16-14-30)25-8-2-5-22-18-29-23(17-24(22)25)19-32-12-4-7-21-10-9-20-6-3-11-28-26(20)27(21)32/h2-3,5-6,8,11,21,23,27,29H,4,7,9-10,12-19H2,1H3/t21-,23+,27-/m0/s1
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| InChIKey |
XIFOVNBYXGVAQJ-AIUHUKMKSA-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