General Information of the Compound
| Compound ID |
CP0548918
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| Compound Name |
US9409915, 28
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| Structure |
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| Formula |
C26H29ClF3N7
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| Molecular Weight |
532.014
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| Canonical SMILES |
CN1CCN(CC1)c1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C26H29ClF3N7/c1-25(2,3)22-19(27)21(36(5)34-22)23-31-18-14-17(15-8-6-7-9-16(15)26(28,29)30)32-24(20(18)33-23)37-12-10-35(4)11-13-37/h6-9,14H,10-13H2,1-5H3,(H,31,33)
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| InChIKey |
YAHCUAUMHBHCPQ-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