General Information of the Compound
| Compound ID |
CP0894257
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| Compound Name |
(E)-3-(4-Acetylamino-phenyl)-N-({[2,4-dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide hydrochloride
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| Structure |
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| Formula |
C30H28Cl3N5O4
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| Molecular Weight |
628.944
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1.Cl
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| InChI |
InChI=1S/C30H27Cl2N5O4.ClH/c1-18-15-33-24-5-4-6-26(30(24)35-18)41-17-22-23(31)12-13-25(29(22)32)37(3)28(40)16-34-27(39)14-9-20-7-10-21(11-8-20)36-19(2)38;/h4-15H,16-17H2,1-3H3,(H,34,39)(H,36,38);1H/b14-9+;
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| InChIKey |
LVYRUFZOGRQQFP-KYIGKLDSSA-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