General Information of the Compound
| Compound ID |
CP0556054
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-[(3-hydroxyazetidin-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 |
C30H26F3N7O2S2
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| Molecular Weight |
637.713
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(OC)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CC(O)C2)cs1
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| InChI |
InChI=1S/C30H26F3N7O2S2/c1-3-40-15-23(22-10-18(6-9-24(22)40)28-35-19(16-43-28)12-39-13-20(41)14-39)27(30(31,32)33)37-38-29-36-26(25(11-34)44-29)17-4-7-21(42-2)8-5-17/h4-10,15-16,20,41H,3,12-14H2,1-2H3,(H,36,38)/b37-27-
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| InChIKey |
XPIAZDFESKKFGK-QOSQFQCFSA-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