General Information of the Compound
| Compound ID |
CP0464395
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| Compound Name |
3-N,3-N-dimethyl-1-N-(pyrimidin-4-ylmethyl)-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrrolidine-1,3-diamine
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| Structure |
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| Formula |
C20H28N6
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| Molecular Weight |
352.486
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| Canonical SMILES |
CN(C)C1CCN(C1)N(Cc1ccncn1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C20H28N6/c1-24(2)18-9-12-25(14-18)26(13-17-8-11-21-15-23-17)19-7-3-5-16-6-4-10-22-20(16)19/h4,6,8,10-11,15,18-19H,3,5,7,9,12-14H2,1-2H3
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| InChIKey |
JWKVNXFCPRWNRC-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