General Information of the Compound
| Compound ID |
CP0549011
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| Compound Name |
4-N,4-N-dimethyl-1-N-(pyrimidin-4-ylmethyl)-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)piperidine-1,4-diamine
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| Structure |
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| Formula |
C21H30N6
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| Molecular Weight |
366.513
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| Canonical SMILES |
CN(C)C1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C21H30N6/c1-25(2)19-9-13-26(14-10-19)27(15-18-8-12-22-16-24-18)20-7-3-5-17-6-4-11-23-21(17)20/h4,6,8,11-12,16,19-20H,3,5,7,9-10,13-15H2,1-2H3
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| InChIKey |
JRSONYCSISZJGD-UHFFFAOYSA-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