General Information of the Compound
| Compound ID |
CP0469576
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| Compound Name |
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(4-methylpiperazine-1-carbonyl)phenyl]-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C22H19F6N5O4S
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| Molecular Weight |
563.48
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(OC(C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H19F6N5O4S/c1-32-4-6-33(7-5-32)19(36)11-2-3-13(14(8-11)37-20(21(23,24)25)22(26,27)28)31-17(34)12-9-38-16-15(12)29-10-30-18(16)35/h2-3,8-10,20H,4-7H2,1H3,(H,31,34)(H,29,30,35)
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| InChIKey |
PHHWMKDAROPSRP-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