General Information of the Compound
| Compound ID |
CP0461162
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| Compound Name |
4-{(E)-2-[({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C32H33N5O4
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| Molecular Weight |
551.647
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cc1
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| InChI |
InChI=1S/C32H33N5O4/c1-20-9-15-27(22(3)25(20)19-41-28-8-6-7-26-31(28)36-21(2)17-34-26)37(5)30(39)18-35-29(38)16-12-23-10-13-24(14-11-23)32(40)33-4/h6-17H,18-19H2,1-5H3,(H,33,40)(H,35,38)/b16-12+
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| InChIKey |
NZURFTJEOPZBMH-FOWTUZBSSA-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