General Information of the Compound
| Compound ID |
CP0072951
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| Compound Name |
(8S)-N-[[(3R)-5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-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 |
C25H33N5
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| Molecular Weight |
403.574
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1C[C@H]2C[C@@H]1CN2)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H33N5/c1-29(24-9-2-5-17-7-4-10-26-25(17)24)15-20-12-22-18(13-27-20)6-3-8-23(22)30-16-19-11-21(30)14-28-19/h3-4,6-8,10,19-21,24,27-28H,2,5,9,11-16H2,1H3/t19-,20-,21-,24+/m1/s1
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| InChIKey |
FUIQAGUAFJESOC-CTVDGRRTSA-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