General Information of the Compound
| Compound ID |
CP0967194
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| Compound Name |
{2-[1-(4-Fluoro-phenyl)-3,3-dioxo-3,4-dihydro-1H-3lambda6-thia-2,4,5-triaza-phenanthren-2-yl]-ethyl}-dimethyl-amine
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| Structure |
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| Formula |
C20H21FN4O2S
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| Molecular Weight |
400.479
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| Canonical SMILES |
CN(C)CCN1C(c2ccc(F)cc2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C20H21FN4O2S/c1-24(2)12-13-25-20(15-5-8-16(21)9-6-15)17-10-7-14-4-3-11-22-18(14)19(17)23-28(25,26)27/h3-11,20,23H,12-13H2,1-2H3
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| InChIKey |
CZCZVKGJZGFAQH-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