General Information of the Compound
| Compound ID |
CP0510957
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| Compound Name |
3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-1,1-dimethyl-urea
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| Structure |
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| Formula |
C24H25ClN6O2
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| Molecular Weight |
464.957
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| Canonical SMILES |
CN(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
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| InChI |
InChI=1S/C24H25ClN6O2/c1-15-10-18(21-8-9-28-31(21)4)17-6-5-7-22(23(17)29-15)33-14-19-16(11-26-13-20(19)25)12-27-24(32)30(2)3/h5-11,13H,12,14H2,1-4H3,(H,27,32)
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| InChIKey |
RTIWXSHBHXGFRN-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