General Information of the Compound
| Compound ID |
CP0453533
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| Compound Name |
4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride
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| Structure |
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| Formula |
C33H34N4O4
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| Molecular Weight |
550.659
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
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| InChI |
InChI=1S/C33H34N4O4/c1-21-9-17-28(23(3)27(21)20-41-29-8-6-7-25-14-10-22(2)36-32(25)29)37(5)31(39)19-35-30(38)18-13-24-11-15-26(16-12-24)33(40)34-4/h6-18H,19-20H2,1-5H3,(H,34,40)(H,35,38)/b18-13+
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| InChIKey |
OMWLEOXFHNLCJC-QGOAFFKASA-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