General Information of the Compound
| Compound ID |
CP0507366
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| Compound Name |
US9481682, 190
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| Structure |
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| Formula |
C26H24ClF3N8O2
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| Molecular Weight |
572.979
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(Cl)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C26H24ClF3N8O2/c1-36-18(26(28,29)30)11-19(35-36)33-25(40)13-3-6-16(17(27)10-13)21-22-23(31)32-8-9-37(22)24(34-21)14-2-4-15-5-7-20(39)38(15)12-14/h3,6,8-11,14-15H,2,4-5,7,12H2,1H3,(H2,31,32)(H,33,35,40)/t14-,15+/m1/s1
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| InChIKey |
XGSMXJNCTFSXJK-CABCVRRESA-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