General Information of the Compound
| Compound ID |
CP0453644
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| Compound Name |
N-(cyclopropylmethyl)-2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3-methyl-N-(oxan-4-yl)quinolin-5-amine
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| Structure |
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| Formula |
C29H36N2O5
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| Molecular Weight |
492.616
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| Canonical SMILES |
COCc1cc(OC)c(Oc2nc3cccc(N(CC4CC4)C4CCOCC4)c3cc2C)c(OC)c1
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| InChI |
InChI=1S/C29H36N2O5/c1-19-14-23-24(6-5-7-25(23)31(17-20-8-9-20)22-10-12-35-13-11-22)30-29(19)36-28-26(33-3)15-21(18-32-2)16-27(28)34-4/h5-7,14-16,20,22H,8-13,17-18H2,1-4H3
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| InChIKey |
LBADOEUQCDRLKE-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