General Information of the Compound
| Compound ID |
CP0556051
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-(piperidin-1-ylmethyl)-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 |
C31H27F4N7S2
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| Molecular Weight |
637.732
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(F)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCCCC2)cs1
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| InChI |
InChI=1S/C31H27F4N7S2/c1-2-42-17-24(23-14-20(8-11-25(23)42)29-37-22(18-43-29)16-41-12-4-3-5-13-41)28(31(33,34)35)39-40-30-38-27(26(15-36)44-30)19-6-9-21(32)10-7-19/h6-11,14,17-18H,2-5,12-13,16H2,1H3,(H,38,40)/b39-28-
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| InChIKey |
WWVILGUKZPRHBP-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