General Information of the Compound
| Compound ID |
CP0451624
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| Compound Name |
(E)-N-({[2,4-Dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide
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| Structure |
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| Formula |
C32H29Cl2N5O4
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| Molecular Weight |
618.521
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| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(Cl)c(COc2cccc3ncc(C)nc23)c1Cl
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| InChI |
InChI=1S/C32H29Cl2N5O4/c1-20-17-35-25-5-3-6-27(32(25)37-20)43-19-23-24(33)13-14-26(31(23)34)38(2)30(42)18-36-28(40)15-10-21-8-11-22(12-9-21)39-16-4-7-29(39)41/h3,5-6,8-15,17H,4,7,16,18-19H2,1-2H3,(H,36,40)/b15-10+
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| InChIKey |
ZPHVGSMDDQJJLW-XNTDXEJSSA-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