General Information of the Compound
| Compound ID |
CP0564547
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-[(4-methylpiperidin-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 |
C33H32F3N7OS2
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| Molecular Weight |
663.795
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(OC)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC(C)CC2)cs1
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| InChI |
InChI=1S/C33H32F3N7OS2/c1-4-43-18-26(25-15-22(7-10-27(25)43)31-38-23(19-45-31)17-42-13-11-20(2)12-14-42)30(33(34,35)36)40-41-32-39-29(28(16-37)46-32)21-5-8-24(44-3)9-6-21/h5-10,15,18-20H,4,11-14,17H2,1-3H3,(H,39,41)/b40-30-
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| InChIKey |
UCTWOPQTJFZGBA-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