General Information of the Compound
| Compound ID |
CP0382187
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| Compound Name |
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-((2-(aminomethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C24H26N6
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| Molecular Weight |
398.514
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| Canonical SMILES |
NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H26N6/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29)/t22-/m0/s1
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| InChIKey |
QATMEWFFUSRNQT-QFIPXVFZSA-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