General Information of the Compound
| Compound ID |
CP0229599
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| Compound Name |
2-ethyl-N-[1-[(E)-4-[2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-3-methyl-7-(piperidin-1-ylmethyl)benzimidazol-1-yl]but-2-enyl]-3-methylbenzimidazol-2-ylidene]-5-methylpyrazole-3-carboxamide
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| Formula |
C40H49N11O2
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| Molecular Weight |
715.907
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/n(C)c2ccccc2n1C\C=C\Cn1c2c(CN3CCCCC3)cccc2n(C)\c1=N/C(=O)c1cc(C)nn1CC
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| InChI |
InChI=1S/C40H49N11O2/c1-7-50-34(25-28(3)43-50)37(52)41-39-45(5)31-18-10-11-19-32(31)48(39)23-14-15-24-49-36-30(27-47-21-12-9-13-22-47)17-16-20-33(36)46(6)40(49)42-38(53)35-26-29(4)44-51(35)8-2/h10-11,14-20,25-26H,7-9,12-13,21-24,27H2,1-6H3/b15-14+,41-39+,42-40+
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| InChIKey |
XECQFUSCVJJKNP-KEUPAEMYSA-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