General Information of the Compound
| Compound ID |
CP0409922
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C31H29Cl2N5O4
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| Molecular Weight |
606.51
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| Canonical SMILES |
CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C31H29Cl2N5O4/c1-19-16-34-24-6-5-7-26(30(24)36-19)42-18-22-23(32)13-14-25(29(22)33)38(4)28(40)17-35-27(39)15-10-20-8-11-21(12-9-20)31(41)37(2)3/h5-16H,17-18H2,1-4H3,(H,35,39)/b15-10+
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| InChIKey |
QXVMVVIBHUVCSR-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