General Information of the Compound
| Compound ID |
CP0438376
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| Compound Name |
5-N-(cyclopropylmethyl)-3-methyl-5-N-(oxan-4-ylmethyl)-2-N-(2,4,6-trimethylphenyl)quinoline-2,5-diamine
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| Structure |
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| Formula |
C29H37N3O
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| Molecular Weight |
443.635
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| Canonical SMILES |
Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)CC4CCOCC4)c3cc2C)c(C)c1
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| InChI |
InChI=1S/C29H37N3O/c1-19-14-20(2)28(21(3)15-19)31-29-22(4)16-25-26(30-29)6-5-7-27(25)32(17-23-8-9-23)18-24-10-12-33-13-11-24/h5-7,14-16,23-24H,8-13,17-18H2,1-4H3,(H,30,31)
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| InChIKey |
AMPLHRZGGAECTP-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