General Information of the Compound
| Compound ID |
CP0440487
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| Compound Name |
4-{(E)-2-[({[3-(2-Ethoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H37N5O5
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| Molecular Weight |
583.689
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| Canonical SMILES |
CCOc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3C)cccc2n1C
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| InChI |
InChI=1S/C33H37N5O5/c1-7-42-33-36-31-27(38(33)6)9-8-10-28(31)43-20-25-21(2)11-17-26(22(25)3)37(5)30(40)19-35-29(39)18-14-23-12-15-24(16-13-23)32(41)34-4/h8-18H,7,19-20H2,1-6H3,(H,34,41)(H,35,39)/b18-14+
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| InChIKey |
OYGXRMUXXLTYPE-NBVRZTHBSA-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