General Information of the Compound
| Compound ID |
CP0488931
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| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[3-(2-methoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
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| Structure |
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| Formula |
C31H34N6O5
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| Molecular Weight |
570.65
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| Canonical SMILES |
COc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3C)cccc2n1C
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| InChI |
InChI=1S/C31H34N6O5/c1-19-10-13-24(20(2)23(19)18-42-26-9-7-8-25-30(26)35-31(41-6)37(25)5)36(4)29(40)17-33-28(39)15-12-22-11-14-27(32-16-22)34-21(3)38/h7-16H,17-18H2,1-6H3,(H,33,39)(H,32,34,38)/b15-12+
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| InChIKey |
JBCIXCINGMZKOY-NTCAYCPXSA-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