General Information of the Compound
| Compound ID |
CP0902615
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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-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide hydrochloride
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| Structure |
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| Formula |
C31H29BrCl3N5O4
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| Molecular Weight |
721.867
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| Canonical SMILES |
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3Cl)cccn2c1Br.Cl
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| InChI |
InChI=1S/C31H28BrCl2N5O4.ClH/c1-19-30(32)39-16-3-5-25(31(39)36-19)43-18-22-23(33)12-13-24(29(22)34)37(2)28(42)17-35-26(40)14-9-20-7-10-21(11-8-20)38-15-4-6-27(38)41;/h3,5,7-14,16H,4,6,15,17-18H2,1-2H3,(H,35,40);1H/b14-9+;
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| InChIKey |
RKTJZHRZONIERU-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