General Information of the Compound
| Compound ID |
CP0307541
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| Compound Name |
N-[4-(4-methylpiperazine-1-carbonyl)-2-phenylphenyl]-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C25H23N5O3S
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| Molecular Weight |
473.558
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C25H23N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h2-8,13-15H,9-12H2,1H3,(H,28,31)(H,26,27,32)
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| InChIKey |
USMAPSJMQVFIAW-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