General Information of the Compound
| Compound ID |
CP0560404
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]hydrazinyl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C33H33F3N8OS2
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| Molecular Weight |
678.81
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| Canonical SMILES |
CCN1CCN(Cc2csc(n2)-c2ccc3n(CC)cc(\C(=N\Nc4nc(c(s4)C#N)-c4ccc(OC)cc4)C(F)(F)F)c3c2)CC1
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| InChI |
InChI=1S/C33H33F3N8OS2/c1-4-42-12-14-43(15-13-42)18-23-20-46-31(38-23)22-8-11-27-25(16-22)26(19-44(27)5-2)30(33(34,35)36)40-41-32-39-29(28(17-37)47-32)21-6-9-24(45-3)10-7-21/h6-11,16,19-20H,4-5,12-15,18H2,1-3H3,(H,39,41)/b40-30-
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| InChIKey |
RSQCVGAIMVYNQQ-DFGGBBJBSA-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