General Information of the Compound
| Compound ID |
CP0957654
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| Compound Name |
[2-Fluoro-5-(2-methyl-3,3-dioxo-1,2,3,4-tetrahydro-3lambda6-thia-2,4,5-triaza-phenanthren-1-yl)-phenyl]-morpholin-4-yl-methanone
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| Structure |
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| Formula |
C22H21FN4O4S
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| Molecular Weight |
456.499
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| Canonical SMILES |
CN1C(c2ccc(F)c(C(=O)N3CCOCC3)c2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C22H21FN4O4S/c1-26-21(15-5-7-18(23)17(13-15)22(28)27-9-11-31-12-10-27)16-6-4-14-3-2-8-24-19(14)20(16)25-32(26,29)30/h2-8,13,21,25H,9-12H2,1H3
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| InChIKey |
PHAWNHUNANWADF-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