General Information of the Compound
| Compound ID |
CP0902447
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| Compound Name |
(E)-N-({[3-(3-Bromo-2-methyl-imidazo[1,2-a]pyridin-8-yloxymethyl)-2,4-dichloro-phenyl]-methyl-carbamoyl}-methyl)-3-(4-methanesulfonylamino-phenyl)-acrylamide hydrochloride
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| Structure |
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| Formula |
C28H27BrCl3N5O5S
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| Molecular Weight |
731.884
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NS(C)(=O)=O)cc4)c3Cl)cccn2c1Br.Cl
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| InChI |
InChI=1S/C28H26BrCl2N5O5S.ClH/c1-17-27(29)36-14-4-5-23(28(36)33-17)41-16-20-21(30)11-12-22(26(20)31)35(2)25(38)15-32-24(37)13-8-18-6-9-19(10-7-18)34-42(3,39)40;/h4-14,34H,15-16H2,1-3H3,(H,32,37);1H/b13-8+;
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| InChIKey |
NBVQWYXOIDXRST-FNXZNAJJSA-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