General Information of the Compound
| Compound ID |
CP0377942
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(6-methyl-pyridin-2-ylmethoxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C28H28Cl2N4O4
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| Molecular Weight |
555.462
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1
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| InChI |
InChI=1S/C28H28Cl2N4O4/c1-18-5-4-6-21(33-18)16-38-17-22-23(29)12-13-24(27(22)30)34(3)26(36)15-32-25(35)14-9-19-7-10-20(11-8-19)28(37)31-2/h4-14H,15-17H2,1-3H3,(H,31,37)(H,32,35)/b14-9+
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| InChIKey |
ZMLXJDYPBYYZKW-NTEUORMPSA-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