General Information of the Compound
| Compound ID |
CP0641487
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| Compound Name |
GSK554170A
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| Structure |
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| Formula |
C23H28F3N7O5
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| Molecular Weight |
539.515
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| Canonical SMILES |
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H27N7O3.C2HF3O2/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17;3-2(4,5)1(6)7/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27);(H,6,7)
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| InChIKey |
JZMFBTBVTPAGEQ-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