General Information of the Compound
| Compound ID |
CP0926570
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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)-benzyl]-(2-morpholin-4-yl-ethyl)-amine
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| Structure |
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| Formula |
C24H28FN5O3S
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| Molecular Weight |
485.585
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| Canonical SMILES |
CN1C(c2ccc(F)c(CNCCN3CCOCC3)c2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C24H28FN5O3S/c1-29-24(20-6-4-17-3-2-8-27-22(17)23(20)28-34(29,31)32)18-5-7-21(25)19(15-18)16-26-9-10-30-11-13-33-14-12-30/h2-8,15,24,26,28H,9-14,16H2,1H3
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| InChIKey |
YZTKHYUEELCWMX-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