General Information of the Compound
| Compound ID |
CP0543694
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| Compound Name |
N-[1-[(E)-4-[7-(azepan-1-ylmethyl)-2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-3-methylbenzimidazol-1-yl]but-2-enyl]-3-methylbenzimidazol-2-ylidene]-2-ethyl-5-methylpyrazole-3-carboxamide
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| Formula |
C41H51N11O2
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| Molecular Weight |
729.934
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/n(C)c2ccccc2n1C\C=C\Cn1c2c(CN3CCCCCC3)cccc2n(C)\c1=N/C(=O)c1cc(C)nn1CC
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| InChI |
InChI=1S/C41H51N11O2/c1-7-51-35(26-29(3)44-51)38(53)42-40-46(5)32-19-11-12-20-33(32)49(40)24-15-16-25-50-37-31(28-48-22-13-9-10-14-23-48)18-17-21-34(37)47(6)41(50)43-39(54)36-27-30(4)45-52(36)8-2/h11-12,15-21,26-27H,7-10,13-14,22-25,28H2,1-6H3/b16-15+,42-40+,43-41+
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| InChIKey |
SZOUZBQVJGDPST-CEEYLBACSA-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