General Information of the Compound
| Compound ID |
CP0577056
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| Compound Name |
2-(dimethylamino)ethyl 4-[4-[[5-fluoro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]benzoyl]piperazine-1-carbodithioate
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| Structure |
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| Formula |
C28H33FN8O2S2
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| Molecular Weight |
596.758
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1F
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| InChI |
InChI=1S/C28H33FN8O2S2/c1-30-25(38)21-6-4-5-7-23(21)33-24-22(29)18-31-27(34-24)32-20-10-8-19(9-11-20)26(39)36-12-14-37(15-13-36)28(40)41-17-16-35(2)3/h4-11,18H,12-17H2,1-3H3,(H,30,38)(H2,31,32,33,34)
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| InChIKey |
WXNYEPSDUHRGAY-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