General Information of the Compound
| Compound ID |
CP0492567
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| Compound Name |
US9481682, 183
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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(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)cc1C(F)(F)F
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| InChI |
InChI=1S/C26H24ClF3N8O2/c1-36-17(26(28,29)30)10-19(35-36)33-25(40)14-4-2-13(3-5-14)21-22-23(31)32-11-18(27)38(22)24(34-21)15-6-7-16-8-9-20(39)37(16)12-15/h2-5,10-11,15-16H,6-9,12H2,1H3,(H2,31,32)(H,33,35,40)/t15-,16+/m1/s1
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| InChIKey |
XHUBVCHKSIAQMT-CVEARBPZSA-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