General Information of the Compound
| Compound ID |
CP0914678
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| Compound Name |
3-(6-Acetylamino-pyridin-3-yl)-N-{1-[2,4-bis-acetylamino-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-1H-pyrrol-2-ylmethyl}-acrylamide
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| Structure |
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| Formula |
C36H37Cl2N7O5
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| Molecular Weight |
718.642
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| Canonical SMILES |
CC(=O)Nc1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(NC(C)=O)c(COc3cccc4ccc(C)nc34)c2NC(C)=O)cn1.Cl.Cl
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| InChI |
InChI=1S/C36H35N7O5.2ClH/c1-22-10-13-27-7-5-9-32(35(27)39-22)48-21-29-30(40-23(2)44)14-15-31(36(29)42-25(4)46)43-18-6-8-28(43)20-38-34(47)17-12-26-11-16-33(37-19-26)41-24(3)45;;/h5-19H,20-21H2,1-4H3,(H,38,47)(H,40,44)(H,42,46)(H,37,41,45);2*1H/b17-12+;;
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| InChIKey |
OKNGVPJVDLSNHV-CWQUOYFRSA-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