General Information of the Compound
| Compound ID |
CP0573834
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| Compound Name |
N-[2-(1-fluoroethoxy)-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 |
C21H22FN5O4S
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| Molecular Weight |
459.503
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| Canonical SMILES |
CC(F)Oc1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H22FN5O4S/c1-12(22)31-16-9-13(21(30)27-7-5-26(2)6-8-27)3-4-15(16)25-19(28)14-10-32-18-17(14)23-11-24-20(18)29/h3-4,9-12H,5-8H2,1-2H3,(H,25,28)(H,23,24,29)
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| InChIKey |
OKCLKDWPPBNWMD-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