General Information of the Compound
| Compound ID |
CP0433589
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| Compound Name |
5-N-(cyclopropylmethyl)-3-methyl-5-N-(oxan-4-yl)-2-N-(2,4,6-trimethylphenyl)quinoline-2,5-diamine
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| Structure |
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| Formula |
C28H35N3O
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| Molecular Weight |
429.608
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| Canonical SMILES |
Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)C4CCOCC4)c3cc2C)c(C)c1
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| InChI |
InChI=1S/C28H35N3O/c1-18-14-19(2)27(20(3)15-18)30-28-21(4)16-24-25(29-28)6-5-7-26(24)31(17-22-8-9-22)23-10-12-32-13-11-23/h5-7,14-16,22-23H,8-13,17H2,1-4H3,(H,29,30)
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| InChIKey |
IOAOJCXOGVORFO-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