General Information of the Compound
| Compound ID |
CP0941268
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| Compound Name |
1-(4-(5-(4-(2-ethyl-4-(3-(phenylsulfonylmethyl)phenyl)thiazol-5-yl)pyrimidin-2-ylamino)pyridin-2-yl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C33H33N7O3S2
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| Molecular Weight |
639.807
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| Canonical SMILES |
CCc1nc(-c2cccc(CS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)nc3)n2)s1
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| InChI |
InChI=1S/C33H33N7O3S2/c1-3-30-38-31(25-9-7-8-24(20-25)22-45(42,43)27-10-5-4-6-11-27)32(44-30)28-14-15-34-33(37-28)36-26-12-13-29(35-21-26)40-18-16-39(17-19-40)23(2)41/h4-15,20-21H,3,16-19,22H2,1-2H3,(H,34,36,37)
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| InChIKey |
YXXFOUVUDFUWQQ-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