General Information of the Compound
| Compound ID |
CP0410682
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-isoquinolin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C31H28Cl2N4O4
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| Molecular Weight |
591.495
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4cnc(C)cc34)c2Cl)cc1
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| InChI |
InChI=1S/C31H28Cl2N4O4/c1-19-15-23-22(16-35-19)5-4-6-27(23)41-18-24-25(32)12-13-26(30(24)33)37(3)29(39)17-36-28(38)14-9-20-7-10-21(11-8-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,36,38)/b14-9+
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| InChIKey |
SWNLCVZTMQTWIU-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