General Information of the Compound
| Compound ID |
CP0635002
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| Compound Name |
2-(3-acetamido-4-chlorophenylamino)-2-phenyl-N-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-yl)acetamide
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| Structure |
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| Formula |
C25H18ClF3N6O2S
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| Molecular Weight |
558.973
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| Canonical SMILES |
CC(=O)Nc1cc(NC(C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)c2ccccc2)ccc1Cl
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| InChI |
InChI=1S/C25H18ClF3N6O2S/c1-12(36)31-19-9-14(7-8-17(19)26)32-20(13-5-3-2-4-6-13)23(37)34-24-33-21-16(25(27,28)29)10-18-15(11-30-35-18)22(21)38-24/h2-11,20,32H,1H3,(H,30,35)(H,31,36)(H,33,34,37)
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| InChIKey |
ZLPVQTFOPHTMQK-UHFFFAOYSA-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