General Information of the Compound
| Compound ID |
CP0494786
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-benzooxazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C29H26Cl2N4O5
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| Molecular Weight |
581.456
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4oc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C29H26Cl2N4O5/c1-17-34-28-23(5-4-6-24(28)40-17)39-16-20-21(30)12-13-22(27(20)31)35(3)26(37)15-33-25(36)14-9-18-7-10-19(11-8-18)29(38)32-2/h4-14H,15-16H2,1-3H3,(H,32,38)(H,33,36)/b14-9+
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| InChIKey |
YGCJXJRNIIUTAT-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