General Information of the Compound
| Compound ID |
CP0571816
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| Compound Name |
4-(4-chlorophenyl)-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]-1,3-thiazole-5-carbonitrile
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| Formula |
C32H29ClF3N7S2
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| Molecular Weight |
668.214
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(Cl)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC(C)CC2)cs1
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| InChI |
InChI=1S/C32H29ClF3N7S2/c1-3-43-17-25(24-14-21(6-9-26(24)43)30-38-23(18-44-30)16-42-12-10-19(2)11-13-42)29(32(34,35)36)40-41-31-39-28(27(15-37)45-31)20-4-7-22(33)8-5-20/h4-9,14,17-19H,3,10-13,16H2,1-2H3,(H,39,41)/b40-29-
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| InChIKey |
KOGLRMMAUGNBIP-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