General Information of the Compound
| Compound ID |
CP0418687
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| Compound Name |
4-(4-chlorophenyl)-2-[(2Z)-2-[1-[1-ethyl-5-[4-[(4-methylpiperazin-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 |
C31H28ClF3N8S2
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| Molecular Weight |
669.202
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(Cl)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCN(C)CC2)cs1
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| InChI |
InChI=1S/C31H28ClF3N8S2/c1-3-43-17-24(23-14-20(6-9-25(23)43)29-37-22(18-44-29)16-42-12-10-41(2)11-13-42)28(31(33,34)35)39-40-30-38-27(26(15-36)45-30)19-4-7-21(32)8-5-19/h4-9,14,17-18H,3,10-13,16H2,1-2H3,(H,38,40)/b39-28-
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| InChIKey |
VYFXYEXGPFEZBV-WGSLGHPRSA-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