General Information of the Compound
| Compound ID |
CP0449168
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C31H31Cl2N5O5
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| Molecular Weight |
624.525
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| Canonical SMILES |
COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)N(C)C)c3Cl)cccc2n1C
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| InChI |
InChI=1S/C31H31Cl2N5O5/c1-36(2)30(41)20-12-9-19(10-13-20)11-16-26(39)34-17-27(40)37(3)23-15-14-22(32)21(28(23)33)18-43-25-8-6-7-24-29(25)35-31(42-5)38(24)4/h6-16H,17-18H2,1-5H3,(H,34,39)/b16-11+
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| InChIKey |
AZGZSEGUTUYBMW-LFIBNONCSA-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