General Information of the Compound
| Compound ID |
CP0108866
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| Compound Name |
2-methyl-N-[[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
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| InChI |
InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-22-21(17(3)9-11-27-22)15-33-24-8-6-7-19-20(13-18(4)30-25(19)24)23-10-12-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)
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| InChIKey |
DMSVLPBDBXCIAW-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