General Information of the Compound
| Compound ID |
CP0450502
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| Compound Name |
2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-3,8-dimethyl-N-pentan-3-ylquinolin-5-amine
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
CCC(CC)Nc1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC
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| InChI |
InChI=1S/C26H34N2O3/c1-8-19(9-2)27-21-11-10-16(3)25-20(21)12-17(4)26(28-25)24-22(30-6)13-18(15-29-5)14-23(24)31-7/h10-14,19,27H,8-9,15H2,1-7H3
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| InChIKey |
MQKVXKNMQMKVQL-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