General Information of the Compound
| Compound ID |
CP0228804
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| Compound Name |
(3S)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinolin-5-amine
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| Structure |
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| Formula |
C25H35N5
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| Molecular Weight |
405.59
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| Canonical SMILES |
CN(C[C@@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C25H35N5/c1-30(24-9-3-5-18-7-4-12-27-25(18)24)17-21-15-22-19(16-28-21)6-2-8-23(22)29-20-10-13-26-14-11-20/h2,4,6-8,12,20-21,24,26,28-29H,3,5,9-11,13-17H2,1H3/t21-,24-/m0/s1
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| InChIKey |
CCWGZMAUYPELSW-URXFXBBRSA-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