General Information of the Compound
| Compound ID |
CP0571818
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C32H30F4N8OS2
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| Molecular Weight |
682.773
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(F)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCN(CCO)CC2)cs1
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| InChI |
InChI=1S/C32H30F4N8OS2/c1-2-44-18-25(29(32(34,35)36)40-41-31-39-28(27(16-37)47-31)20-3-6-22(33)7-4-20)24-15-21(5-8-26(24)44)30-38-23(19-46-30)17-43-11-9-42(10-12-43)13-14-45/h3-8,15,18-19,45H,2,9-14,17H2,1H3,(H,39,41)/b40-29-
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| InChIKey |
SJQZINONNJBDMG-MIDJFWNWSA-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