General Information of the Compound
| Compound ID |
CP0489780
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| Compound Name |
N-methyl-N-[(5-methylpyridin-2-yl)methyl]-1-[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
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| Structure |
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| Formula |
C22H31N5
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| Molecular Weight |
365.525
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ccc(C)cn1
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| InChI |
InChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3/t20-/m1/s1
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| InChIKey |
RULCBINUQVNOQP-HXUWFJFHSA-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