General Information of the Compound
| Compound ID |
CP0144923
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-5-[(3R,5S)-3,4,5-trimethylpiperazin-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 |
C27H39N5
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| Molecular Weight |
433.644
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1C)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12
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| InChI |
InChI=1S/C27H39N5/c1-19-16-32(17-20(2)31(19)4)25-11-6-9-22-15-29-23(14-24(22)25)18-30(3)26-12-5-8-21-10-7-13-28-27(21)26/h6-7,9-11,13,19-20,23,26,29H,5,8,12,14-18H2,1-4H3/t19-,20+,23-,26+/m1/s1
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| InChIKey |
FCAYYYOYGBMERK-XKCHLWDXSA-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