General Information of the Compound
| Compound ID |
CP0317724
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| Compound Name |
2-ethyl-N-[1-[(E)-4-[2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-3-methyl-7-(morpholin-4-ylmethyl)benzimidazol-1-yl]but-2-enyl]-3-methylbenzimidazol-2-ylidene]-5-methylpyrazole-3-carboxamide
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| Formula |
C39H47N11O3
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| Molecular Weight |
717.879
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/n(C)c2ccccc2n1C\C=C\Cn1c2c(CN3CCOCC3)cccc2n(C)\c1=N/C(=O)c1cc(C)nn1CC
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| InChI |
InChI=1S/C39H47N11O3/c1-7-49-33(24-27(3)42-49)36(51)40-38-44(5)30-15-9-10-16-31(30)47(38)18-11-12-19-48-35-29(26-46-20-22-53-23-21-46)14-13-17-32(35)45(6)39(48)41-37(52)34-25-28(4)43-50(34)8-2/h9-17,24-25H,7-8,18-23,26H2,1-6H3/b12-11+,40-38+,41-39+
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| InChIKey |
BGILSESIPXJNAD-DSERURCISA-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